5-methyl-4-oxidanylidene-3-(pyridin-4-ylcarbonylamino)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-3-(pyridin-4-ylcarbonylamino)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-3-(pyridine-4-carbonylamino)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[[oxo(pyridin-4-yl)methyl]amino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-3-(pyridine-4-carbonylamino)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-isonicotinamido-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H10N4O4S2 MolecularWeight: 362.3836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C14H10N4O4S2/c1-6-8-11(24-9(6)13(21)22)16-14(23)18(12(8)20)17-10(19)7-2-4-15-5-3-7/h2-5H,1H3,(H,16,23)(H,17,19)(H,21,22)