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

Systemtic Name: 5-[(3,4-dimethylphenyl)methyl]-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(3,4-dimethylphenyl)methyl]-2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(3,4-dimethylphenyl)methyl]-2-[(2-methoxy-5-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(3,4-dimethylphenyl)methyl]-2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(3,4-dimethylbenzyl)-2-[(2-methoxy-5-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC)C)C

InChI

InChI=1S/C22H23N3O4S/c1-13-5-6-16(9-14(13)2)10-19-15(3)23-22(24-21(19)26)30-12-17-11-18(25(27)28)7-8-20(17)29-4/h5-9,11H,10,12H2,1-4H3,(H,23,24,26)