6-methyl-3-(phenylsulfonyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-3-(phenylsulfonyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-6-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid CAS Name: 3-(benzenesulfonyl)-6-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-6-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-besyl-6-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid Formula: C12H12N2O4S2 MolecularWeight: 312.36468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CN(C(=S)N1)S(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1C(=CN(C(=S)N1)S(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H12N2O4S2/c1-8-10(11(15)16)7-14(12(19)13-8)20(17,18)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,19)(H,15,16)