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

Systemtic Name: 3-(2-chlorophenyl)-7-[(4-oxidanylcyclohexyl)amino]-1-(phenylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-benzyl-3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-1-(phenylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-benzyl-3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-benzyl-3-(2-chlorophenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H26ClN5O2 MolecularWeight: 463.95924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C3CN(C(=O)N(C3=N2)CC4=CC=CC=C4)C5=CC=CC=C5Cl)O

Isomeric SMILES

C1CC(CCC1NC2=NC=C3CN(C(=O)N(C3=N2)CC4=CC=CC=C4)C5=CC=CC=C5Cl)O

InChI

InChI=1S/C25H26ClN5O2/c26-21-8-4-5-9-22(21)30-16-18-14-27-24(28-19-10-12-20(32)13-11-19)29-23(18)31(25(30)33)15-17-6-2-1-3-7-17/h1-9,14,19-20,32H,10-13,15-16H2,(H,27,28,29)