7-[(4-azanylcyclohexyl)amino]-3-[2,6-bis(fluoranyl)-3-methoxy-5-oxidanyl-phenyl]-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-3-[2,6-bis(fluoranyl)-3-methoxy-5-oxidanyl-phenyl]-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H30F2N6O3 MolecularWeight: 488.530206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30F2N6O3/c1-35-18-10-17(33)19(25)21(20(18)26)31-12-13-11-28-23(29-15-8-6-14(27)7-9-15)30-22(13)32(24(31)34)16-4-2-3-5-16/h10-11,14-16,33H,2-9,12,27H2,1H3,(H,28,29,30)