7-[[4-[2,3-bis(oxidanyl)propoxy]cyclohexyl]amino]-3-(2-chlorophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 7-[[4-[2,3-bis(oxidanyl)propoxy]cyclohexyl]amino]-3-(2-chlorophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chlorophenyl)-7-[[4-(2,3-dihydroxypropoxy)cyclohexyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-[[4-(2,3-dihydroxypropoxy)cyclohexyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chlorophenyl)-7-[[4-(2,3-dihydroxypropoxy)cyclohexyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chlorophenyl)-7-[(4-glyceryloxycyclohexyl)amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H28ClN5O4 MolecularWeight: 461.94182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)OCC(CO)O

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)OCC(CO)O

InChI

InChI=1S/C22H28ClN5O4/c1-27-20-14(11-28(22(27)31)19-5-3-2-4-18(19)23)10-24-21(26-20)25-15-6-8-17(9-7-15)32-13-16(30)12-29/h2-5,10,15-17,29-30H,6-9,11-13H2,1H3,(H,24,25,26)