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

Systemtic Name: 8-ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 8-ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-2-[4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-2-[4-(methylcarbamothioyl)piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-ethyl-5-keto-2-[4-(methylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C16H19N6O3S- MolecularWeight: 375.42546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3S/c1-3-20-9-11(14(24)25)12(23)10-8-18-15(19-13(10)20)21-4-6-22(7-5-21)16(26)17-2/h8-9H,3-7H2,1-2H3,(H,17,26)(H,24,25)/p-1