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

Systemtic Name: 2-[4-[(6-chloranylpyridin-3-yl)carbonylcarbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[4-[[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-[4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[4-[(6-chloronicotinoyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C21H19ClN7O4S- MolecularWeight: 500.93806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN7O4S/c1-2-27-11-14(19(32)33)16(30)13-10-24-20(25-17(13)27)28-5-7-29(8-6-28)21(34)26-18(31)12-3-4-15(22)23-9-12/h3-4,9-11H,2,5-8H2,1H3,(H,32,33)(H,26,31,34)/p-1