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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(phenylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 8-ethyl-5-oxo-2-[4-(phenylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-[anilino(sulfanylidene)methyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-5-oxo-2-[4-(phenylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-ethyl-5-keto-2-[4-(phenylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C21H21N6O3S- MolecularWeight: 437.49484

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3S/c1-2-25-13-16(19(29)30)17(28)15-12-22-20(24-18(15)25)26-8-10-27(11-9-26)21(31)23-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,23,31)(H,29,30)/p-1