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

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-5-pentyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S/c1-3-4-6-11-18-21(17-9-7-5-8-10-17)24-23(25-22(18)27)31-15-16-12-13-20(30-2)19(14-16)26(28)29/h5,7-10,12-14,18,21,23-24H,3-4,6,11,15H2,1-2H3,(H,25,27)