4-(4-methoxy-3-methyl-phenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-(4-methoxy-3-methyl-phenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-(4-methoxy-3-methyl-phenyl)-2-thioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 4-(4-methoxy-3-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-(4-methoxy-3-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-(4-methoxy-3-methyl-phenyl)-2-thioxo-1H-pyrimidine-6-carboxylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)O)OC

InChI

InChI=1S/C13H12N2O3S/c1-7-5-8(3-4-11(7)18-2)9-6-10(12(16)17)15-13(19)14-9/h3-6H,1-2H3,(H,16,17)(H,14,15,19)