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

Systemtic Name: 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-oxidanyl-2-phenyl-1,3-diazinan-4-one Openeye Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-2-phenyl-hexahydropyrimidin-4-one CAS Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-2-phenyl-1,3-diazinan-4-one IUPAC Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-2-phenyl-1,3-diazinan-4-one Traditional Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]-2-phenyl-hexahydropyrimidin-4-one Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCCC2C(NC(NC2=O)C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCCC2C(NC(NC2=O)C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-28-17-8-7-13(11-16(17)23(26)27)12-29-10-9-15-19(24)21-18(22-20(15)25)14-5-3-2-4-6-14/h2-8,11,15,18-19,21,24H,9-10,12H2,1H3,(H,22,25)