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

Systemtic Name: 8-ethyl-2-[4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: 8-ethyl-2-[4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 8-ethyl-2-[4-[(2-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 8-ethyl-2-[4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 8-ethyl-5-keto-2-[4-[(2-methoxyphenyl)thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylate Formula: C22H23N6O4S- MolecularWeight: 467.52082

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)NC4=CC=CC=C4OC)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4OC)C(=O)[O-]

InChI

InChI=1S/C22H24N6O4S/c1-3-26-13-15(20(30)31)18(29)14-12-23-21(25-19(14)26)27-8-10-28(11-9-27)22(33)24-16-6-4-5-7-17(16)32-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,33)(H,30,31)/p-1