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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-(2,5-dimethylbenzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-17-9-10-18(2)21(13-17)15-22-25(20-7-5-4-6-8-20)28-27(29-26(22)31)35-16-19-11-12-24(34-3)23(14-19)30(32)33/h4-14,22,25,27-28H,15-16H2,1-3H3,(H,29,31)