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

Systemtic Name: 8-ethyl-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 8-ethyl-2-[4-(o-tolylcarbamothioyl)piperazin-1-yl]-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 8-ethyl-5-keto-2-[4-(o-tolylthiocarbamoyl)piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H24N6O3S MolecularWeight: 452.52936

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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=C4C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C22H24N6O3S/c1-3-26-13-16(20(30)31)18(29)15-12-23-21(25-19(15)26)27-8-10-28(11-9-27)22(32)24-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,32)(H,30,31)