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

Systemtic Name: 2-[4-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioyl]piperazin-1-ium-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[4-[(2-ethoxy-2-oxo-ethyl)carbamothioyl]piperazin-1-ium-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-[4-[(2-ethoxy-2-oxoethyl)carbamothioyl]piperazin-1-ium-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-[(2-ethoxy-2-keto-ethyl)thiocarbamoyl]piperazin-1-ium-1-yl]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C19H24N6O5S MolecularWeight: 448.49606

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O5S/c1-3-23-11-13(17(28)29)15(27)12-9-20-18(22-16(12)23)24-5-7-25(8-6-24)19(31)21-10-14(26)30-4-2/h9,11H,3-8,10H2,1-2H3,(H,21,31)(H,28,29)