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

Systemtic Name: 3-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H29ClN6O2 MolecularWeight: 444.95766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)O

Isomeric SMILES

CN(C)CCN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Cl)NC4CCC(CC4)O

InChI

InChI=1S/C22H29ClN6O2/c1-27(2)11-12-28-20-15(14-29(22(28)31)19-6-4-3-5-18(19)23)13-24-21(26-20)25-16-7-9-17(30)10-8-16/h3-6,13,16-17,30H,7-12,14H2,1-2H3,(H,24,25,26)