8-ethyl-5-oxidanylidene-2-[4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-5-oxo-2-[4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-[(4-sulfamoylphenyl)thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H23N7O5S2 MolecularWeight: 517.58122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C21H23N7O5S2/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(34)24-13-3-5-14(6-4-13)35(22,32)33/h3-6,11-12H,2,7-10H2,1H3,(H,24,34)(H,30,31)(H2,22,32,33)