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

Systemtic Name: 2-[4-[(4-ethoxycarbonylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(4-ethoxycarbonylbenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[[[(4-ethoxycarbonylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(4-ethoxycarbonylbenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(4-carbethoxybenzoyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C25H26N6O6S MolecularWeight: 538.57554

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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=C(C=C4)C(=O)OCC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O6S/c1-3-29-14-18(22(34)35)19(32)17-13-26-24(27-20(17)29)30-9-11-31(12-10-30)25(38)28-21(33)15-5-7-16(8-6-15)23(36)37-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,34,35)(H,28,33,38)