2-[6-(2-chlorophenyl)-2-[(4-oxidanylcyclohexyl)amino]-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]ethanoic acid

Systemtic Name: 2-[6-(2-chlorophenyl)-2-[(4-oxidanylcyclohexyl)amino]-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]ethanoic acid Openeye Name: 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]acetic acid CAS Name: 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-oxo-8-pyrido[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetic acid Traditional Name: 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-keto-pyrido[2,3-d]pyrimidin-8-yl]acetic acid Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C3C=C(C(=O)N(C3=N2)CC(=O)O)C4=CC=CC=C4Cl)O

Isomeric SMILES

C1CC(CCC1NC2=NC=C3C=C(C(=O)N(C3=N2)CC(=O)O)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C21H21ClN4O4/c22-17-4-2-1-3-15(17)16-9-12-10-23-21(24-13-5-7-14(27)8-6-13)25-19(12)26(20(16)30)11-18(28)29/h1-4,9-10,13-14,27H,5-8,11H2,(H,28,29)(H,23,24,25)