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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-(4-ethoxybenzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5S/c1-3-35-21-12-9-18(10-13-21)15-22-25(20-7-5-4-6-8-20)28-27(29-26(22)31)36-17-19-11-14-24(34-2)23(16-19)30(32)33/h4-14,16,22,25,27-28H,3,15,17H2,1-2H3,(H,29,31)