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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(pyridin-3-ylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-5-oxo-2-[4-(3-pyridylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[(3-pyridinylamino)-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-(pyridin-3-ylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(3-pyridylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H21N7O3S MolecularWeight: 439.49084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O3S/c1-2-25-12-15(18(29)30)16(28)14-11-22-19(24-17(14)25)26-6-8-27(9-7-26)20(31)23-13-4-3-5-21-10-13/h3-5,10-12H,2,6-9H2,1H3,(H,23,31)(H,29,30)