5-methyl-6-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one

Systemtic Name: 5-methyl-6-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one Openeye Name: 2-benzylsulfanyl-5-methyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-methyl-6-phenyl-2-(phenylmethylthio)-1,3-diazinan-4-one IUPAC Name: 2-benzylsulfanyl-5-methyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(benzylthio)-5-methyl-6-phenyl-hexahydropyrimidin-4-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2OS/c1-13-16(15-10-6-3-7-11-15)19-18(20-17(13)21)22-12-14-8-4-2-5-9-14/h2-11,13,16,18-19H,12H2,1H3,(H,20,21)