5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]thio]-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(4-sulfamoylanilino)ethyl]thio]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H13N4O6S3- MolecularWeight: 453.49262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)[O-]

InChI

InChI=1S/C16H14N4O6S3/c1-7-11-13(22)19-16(20-14(11)28-12(7)15(23)24)27-6-10(21)18-8-2-4-9(5-3-8)29(17,25)26/h2-5H,6H2,1H3,(H,18,21)(H,23,24)(H2,17,25,26)(H,19,20,22)/p-1