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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(pyridin-4-ylcarbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-5-oxo-2-[4-(pyridine-4-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[[[oxo(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-(pyridine-4-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-2-[4-(isonicotinoylthiocarbamoyl)piperazino]-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H21N7O4S MolecularWeight: 467.50094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O4S/c1-2-26-12-15(19(31)32)16(29)14-11-23-20(24-17(14)26)27-7-9-28(10-8-27)21(33)25-18(30)13-3-5-22-6-4-13/h3-6,11-12H,2,7-10H2,1H3,(H,31,32)(H,25,30,33)