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

Systemtic Name: 8-ethyl-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[(3-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-[(3-methoxyphenyl)thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC(=CC=C4)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC(=CC=C4)OC)C(=O)O

InChI

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