2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-5-methyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-5-methyl-6-phenyl-hexahydropyrimidin-4-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4S/c1-12-17(14-6-4-3-5-7-14)20-19(21-18(12)23)27-11-13-8-9-16(26-2)15(10-13)22(24)25/h3-10,12,17,19-20H,11H2,1-2H3,(H,21,23)