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

Systemtic Name: 5-heptyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-heptyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-heptyl-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-heptyl-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-heptyl-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-3-4-5-6-10-13-20-23(19-11-8-7-9-12-19)26-25(27-24(20)29)33-17-18-14-15-22(32-2)21(16-18)28(30)31/h7-9,11-12,14-16,20,23,25-26H,3-6,10,13,17H2,1-2H3,(H,27,29)