8-ethyl-5-oxidanylidene-2-[4-(phenylcarbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(phenylcarbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[4-(benzoylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-[benzamido(sulfanylidene)methyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-[4-(benzoylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-(benzoylthiocarbamoyl)piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C22H21N6O4S- MolecularWeight: 465.50494

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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=CC=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O4S/c1-2-26-13-16(20(31)32)17(29)15-12-23-21(24-18(15)26)27-8-10-28(11-9-27)22(33)25-19(30)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,31,32)(H,25,30,33)/p-1