SDF/Mol File of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (C13H14N2O3)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione Molecule

• Chemical structure of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is available in chemical structure page of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

  The molecular weight of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is available in molecular weight page of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

  The chemical formula of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is given in chemical formula page of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is:

  InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)/t13-/m1/s1

  It can provide a standard way to encode the molecular information of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is:

  InChIKey=ALARQZQTBTVLJV-CYBMUJFWSA-N

  The InChIKey may allow easier web searches for (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione, but it needs to be linked to the full InChI to get back to the original structure of the (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

  The (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione including the registry numbers are listed below, if available:

  • 2,4,6(1H,3H,5H)-PYRIMIDINETRIONE,5-ETHYL-1-METHYL-5-PHENYL-, (5R)-
  • A803425
  • BIDD:PXR0006
  • (R)-Mephobarbital
  • (-)-Methylphenobarbital
  • 2303-80-2
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-phenyl-, (R)-

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(5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione Identification Summary Frequently Asked Questions (FAQs)

What’s the (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione formula?
C13H14N2O3
How many atoms and what elements are included in the (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione molecule?
32 atom(s) - 14 Hydrogen atom(s), 13 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione structure?
33 bond(s) - 19 non-H bond(s), 9 multiple bond(s), 2 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), and 2 imide(s) (-thio)
What’s the (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione’s molar mass?
246.26186 g/mol
What’s the SMILES structure of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
CCC1(C(=O)NC(=O)N(C)C1=O)c2ccccc2
What’s the InChI code of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)/t13-/m1/s1
What’s the InChIKey format of (5R)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
ALARQZQTBTVLJV-CYBMUJFWSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).