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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-3-(2-chloranyl-6-fluoranyl-3,5-dimethoxy-phenyl)-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-3-(2-chloro-6-fluoro-3,5-dimethoxy-phenyl)-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-3-(2-chloro-6-fluoro-3,5-dimethoxy-phenyl)-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H32ClFN6O3 MolecularWeight: 519.011383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)N)Cl)OC

InChI

InChI=1S/C25H32ClFN6O3/c1-35-18-11-19(36-2)21(27)22(20(18)26)32-13-14-12-29-24(30-16-9-7-15(28)8-10-16)31-23(14)33(25(32)34)17-5-3-4-6-17/h11-12,15-17H,3-10,13,28H2,1-2H3,(H,29,30,31)