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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopropyl-3-(2-fluoranyl-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H27FN6O2 MolecularWeight: 426.487183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)N

InChI

InChI=1S/C22H27FN6O2/c1-31-18-4-2-3-17(19(18)23)28-12-13-11-25-21(26-15-7-5-14(24)6-8-15)27-20(13)29(22(28)30)16-9-10-16/h2-4,11,14-16H,5-10,12,24H2,1H3,(H,25,26,27)