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

Systemtic Name: 1-cyclopropyl-3-(2-fluoranyl-3,5-dimethoxy-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-3-(2-fluoro-3,5-dimethoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-3-(2-fluoro-3,5-dimethoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H28FN5O4 MolecularWeight: 457.497923

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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)O)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN5O4/c1-32-17-9-18(20(24)19(10-17)33-2)28-12-13-11-25-22(26-14-3-7-16(30)8-4-14)27-21(13)29(23(28)31)15-5-6-15/h9-11,14-16,30H,3-8,12H2,1-2H3,(H,25,26,27)