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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopropyl-3-(2-fluoranyl-5-methoxy-3-oxidanyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H27FN6O3 MolecularWeight: 442.486583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)N)F)O

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)N)F)O

InChI

InChI=1S/C22H27FN6O3/c1-32-16-8-17(19(23)18(30)9-16)28-11-12-10-25-21(26-14-4-2-13(24)3-5-14)27-20(12)29(22(28)31)15-6-7-15/h8-10,13-15,30H,2-7,11,24H2,1H3,(H,25,26,27)