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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

InChI

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