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

Systemtic Name: 1-cyclopropyl-3-(2-fluoranyl-5-methoxy-3-oxidanyl-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H26FN5O4 MolecularWeight: 443.471343

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN5O4/c1-32-16-8-17(19(23)18(30)9-16)27-11-12-10-24-21(25-13-2-6-15(29)7-3-13)26-20(12)28(22(27)31)14-4-5-14/h8-10,13-15,29-30H,2-7,11H2,1H3,(H,24,25,26)