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

Systemtic Name: 8-ethyl-2-[4-[(2-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-[(2-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[(2-methoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(2-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(2-carbomethoxyphenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C23H24N6O5S MolecularWeight: 496.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C(=O)OC)C(=O)O

InChI

InChI=1S/C23H24N6O5S/c1-3-27-13-16(20(31)32)18(30)15-12-24-22(26-19(15)27)28-8-10-29(11-9-28)23(35)25-17-7-5-4-6-14(17)21(33)34-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,35)(H,31,32)