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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(pyridin-3-ylcarbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-5-oxo-2-[4-(pyridine-3-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-(pyridine-3-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(nicotinoylthiocarbamoyl)piperazino]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=CN=CC=C4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=CC=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)27-6-8-28(9-7-27)21(33)25-18(30)13-4-3-5-22-10-13/h3-5,10-12H,2,6-9H2,1H3,(H,31,32)(H,25,30,33)