2-[(5-methyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-(5-methyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(5-methyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]acetic acid IUPAC Name: 2-[(5-methyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-5-methyl-6-phenyl-hexahydropyrimidin-2-yl)thio]acetic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O3S/c1-8-11(9-5-3-2-4-6-9)14-13(15-12(8)18)19-7-10(16)17/h2-6,8,11,13-14H,7H2,1H3,(H,15,18)(H,16,17)