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

Systemtic Name: 2-[4-[(4-carboxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(4-carboxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[(4-carboxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(4-carboxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(4-carboxyphenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H22N6O5S MolecularWeight: 482.51228

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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)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O5S/c1-2-26-12-16(20(32)33)17(29)15-11-23-21(25-18(15)26)27-7-9-28(10-8-27)22(34)24-14-5-3-13(4-6-14)19(30)31/h3-6,11-12H,2,7-10H2,1H3,(H,24,34)(H,30,31)(H,32,33)