2-[3-(2-chlorophenyl)-7-[(4-oxidanylcyclohexyl)amino]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-chlorophenyl)-7-[(4-oxidanylcyclohexyl)amino]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid CAS Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid IUPAC Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid Traditional Name: 2-[3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]acetic acid Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C3CN(C(=O)N(C3=N2)CC(=O)O)C4=CC=CC=C4Cl)O

Isomeric SMILES

C1CC(CCC1NC2=NC=C3CN(C(=O)N(C3=N2)CC(=O)O)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C20H22ClN5O4/c21-15-3-1-2-4-16(15)25-10-12-9-22-19(23-13-5-7-14(27)8-6-13)24-18(12)26(20(25)30)11-17(28)29/h1-4,9,13-14,27H,5-8,10-11H2,(H,28,29)(H,22,23,24)