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

Systemtic Name: 5-ethyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-ethyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-ethyl-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-ethyl-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-ethyl-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-3-15-18(14-7-5-4-6-8-14)21-20(22-19(15)24)28-12-13-9-10-17(27-2)16(11-13)23(25)26/h4-11,15,18,20-21H,3,12H2,1-2H3,(H,22,24)