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

Systemtic Name: 2-[4-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(2-bromo-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[4-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2-[4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H23BrN6O3S MolecularWeight: 531.42542

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=C(C=C(C=C4)C)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN6O3S/c1-3-27-12-15(20(31)32)18(30)14-11-24-21(26-19(14)27)28-6-8-29(9-7-28)22(33)25-17-5-4-13(2)10-16(17)23/h4-5,10-12H,3,6-9H2,1-2H3,(H,25,33)(H,31,32)