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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopentyl-3-(2-fluoranyl-5-methoxy-3-oxidanyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H31FN6O3 MolecularWeight: 470.539743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN6O3/c1-34-18-10-19(21(25)20(32)11-18)30-13-14-12-27-23(28-16-8-6-15(26)7-9-16)29-22(14)31(24(30)33)17-4-2-3-5-17/h10-12,15-17,32H,2-9,13,26H2,1H3,(H,27,28,29)