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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(1-phenylethylcarbamothioyl)piperazin-1-ium-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 8-ethyl-5-oxo-2-[4-(1-phenylethylcarbamothioyl)piperazin-1-ium-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-5-oxo-2-[4-[(1-phenylethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-5-oxo-2-[4-(1-phenylethylcarbamothioyl)piperazin-1-ium-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-ethyl-5-keto-2-[4-(1-phenylethylthiocarbamoyl)piperazin-1-ium-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)[NH+]3CCN(CC3)C(=S)NC(C)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)[NH+]3CCN(CC3)C(=S)NC(C)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H26N6O3S/c1-3-27-14-18(21(31)32)19(30)17-13-24-22(26-20(17)27)28-9-11-29(12-10-28)23(33)25-15(2)16-7-5-4-6-8-16/h4-8,13-15H,3,9-12H2,1-2H3,(H,25,33)(H,31,32)