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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(4-chlorophenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-(4-chlorobenzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24ClN3O4S/c1-33-22-12-9-17(14-21(22)29(31)32)15-34-25-27-23(18-5-3-2-4-6-18)20(24(30)28-25)13-16-7-10-19(26)11-8-16/h2-12,14,20,23,25,27H,13,15H2,1H3,(H,28,30)