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

Systemtic Name: 8-ethyl-2-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 8-ethyl-2-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-2-[4-[(4-methoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-2-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-[(4-carbomethoxyphenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C23H23N6O5S- MolecularWeight: 495.53092

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

Isomeric SMILES

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

InChI

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