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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(piperonyloylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C23H22N6O6S MolecularWeight: 510.52238

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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=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C23H22N6O6S/c1-2-27-11-15(21(32)33)18(30)14-10-24-22(25-19(14)27)28-5-7-29(8-6-28)23(36)26-20(31)13-3-4-16-17(9-13)35-12-34-16/h3-4,9-11H,2,5-8,12H2,1H3,(H,32,33)(H,26,31,36)