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

Systemtic Name: 2-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-[(2,5-dimethoxyphenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C23H25N6O5S- MolecularWeight: 497.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)OC)OC)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)OC)OC)C(=O)[O-]

InChI

InChI=1S/C23H26N6O5S/c1-4-27-13-16(21(31)32)19(30)15-12-24-22(26-20(15)27)28-7-9-29(10-8-28)23(35)25-17-11-14(33-2)5-6-18(17)34-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,25,35)(H,31,32)/p-1