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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-5-oxo-2-[4-(thiophene-2-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-(thiophene-2-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(2-thenoylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H20N6O4S2 MolecularWeight: 472.5406

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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=CS4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C20H20N6O4S2/c1-2-24-11-13(18(29)30)15(27)12-10-21-19(22-16(12)24)25-5-7-26(8-6-25)20(31)23-17(28)14-4-3-9-32-14/h3-4,9-11H,2,5-8H2,1H3,(H,29,30)(H,23,28,31)