5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-2-(p-tolylsulfonylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-(tosylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H14N2O5S2 MolecularWeight: 378.42276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

InChI

InChI=1S/C16H14N2O5S2/c1-8-3-5-10(6-4-8)25(22,23)7-11-17-14(19)12-9(2)13(16(20)21)24-15(12)18-11/h3-6H,7H2,1-2H3,(H,20,21)(H,17,18,19)