3-[(4-methoxyphenyl)methyl]-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-1,5-dicarboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-1,5-dicarboxylic acid Openeye Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-6-(3-nitrophenyl)-2-thioxo-4H-pyrimidine-1,5-dicarboxylic acid CAS Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-1,5-dicarboxylic acid IUPAC Name: 3-[(4-methoxyphenyl)methyl]-4-methyl-6-(3-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-1,5-dicarboxylic acid Traditional Name: 4-methyl-6-(3-nitrophenyl)-3-p-anisyl-2-thioxo-4H-pyrimidine-1,5-dicarboxylic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N(C(=S)N1CC2=CC=C(C=C2)OC)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(=C(N(C(=S)N1CC2=CC=C(C=C2)OC)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H19N3O7S/c1-12-17(19(25)26)18(14-4-3-5-15(10-14)24(29)30)23(21(27)28)20(32)22(12)11-13-6-8-16(31-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,25,26)(H,27,28)