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

Systemtic Name: 8-ethyl-5-oxidanylidene-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[4-[(4-benzyloxyphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 8-ethyl-5-oxo-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[4-[(4-benzoxyphenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylic acid Formula: C28H28N6O4S MolecularWeight: 544.62472

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=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H28N6O4S/c1-2-32-17-23(26(36)37)24(35)22-16-29-27(31-25(22)32)33-12-14-34(15-13-33)28(39)30-20-8-10-21(11-9-20)38-18-19-6-4-3-5-7-19/h3-11,16-17H,2,12-15,18H2,1H3,(H,30,39)(H,36,37)