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

Systemtic Name: 5-hexyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-hexyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-hexyl-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-hexyl-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-hexyl-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S/c1-3-4-5-9-12-19-22(18-10-7-6-8-11-18)25-24(26-23(19)28)32-16-17-13-14-21(31-2)20(15-17)27(29)30/h6-8,10-11,13-15,19,22,24-25H,3-5,9,12,16H2,1-2H3,(H,26,28)