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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[4-(allylcarbamothioyl)piperazin-1-ium-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-5-oxo-2-[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-5-oxo-2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-(allylthiocarbamoyl)piperazin-1-ium-1-yl]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3S/c1-3-5-19-18(28)24-8-6-23(7-9-24)17-20-10-12-14(25)13(16(26)27)11-22(4-2)15(12)21-17/h3,10-11H,1,4-9H2,2H3,(H,19,28)(H,26,27)