4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-7-10(12(16)17)11(15-13(19)14-7)8-3-5-9(18-2)6-4-8/h3-6,11H,1-2H3,(H,16,17)(H2,14,15,19)