3-(2-chlorophenyl)-7-[(4-oxidanylcyclohexyl)amino]-1-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-7-[(4-oxidanylcyclohexyl)amino]-1-[2,2,2-tris(fluoranyl)ethyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-(2,2,2-trifluoroethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H21ClF3N5O2 MolecularWeight: 455.86125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClF3N5O2/c21-15-3-1-2-4-16(15)28-10-12-9-25-18(26-13-5-7-14(30)8-6-13)27-17(12)29(19(28)31)11-20(22,23)24/h1-4,9,13-14,30H,5-8,10-11H2,(H,25,26,27)