3-(dimethylcarbamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(dimethylcarbamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-(dimethylcarbamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 3-[dimethylamino(oxo)methyl]-2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(dimethylcarbamoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-(dimethylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-2-(p-anisylthio)-4H-pyrimidine-5-carboxylic acid Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)N(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)N(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H24N4O6S/c1-14-19(21(28)29)20(16-6-5-7-17(12-16)27(31)32)26(23(30)25(2)3)22(24-14)34-13-15-8-10-18(33-4)11-9-15/h5-12,20H,13H2,1-4H3,(H,28,29)