1-cyclopentyl-3-(2-fluoranyl-3,5-dimethoxy-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-cyclopentyl-3-(2-fluoranyl-3,5-dimethoxy-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H32FN5O4 MolecularWeight: 485.551083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)O)F)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)O)F)OC

InChI

InChI=1S/C25H32FN5O4/c1-34-19-11-20(22(26)21(12-19)35-2)30-14-15-13-27-24(28-16-7-9-18(32)10-8-16)29-23(15)31(25(30)33)17-5-3-4-6-17/h11-13,16-18,32H,3-10,14H2,1-2H3,(H,27,28,29)