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

Systemtic Name: 1-cyclopropyl-3-(2-fluoranyl-3-methoxy-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-3-(2-fluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-3-(2-fluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H26FN5O3 MolecularWeight: 427.471943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN5O3/c1-31-18-4-2-3-17(19(18)23)27-12-13-11-24-21(25-14-5-9-16(29)10-6-14)26-20(13)28(22(27)30)15-7-8-15/h2-4,11,14-16,29H,5-10,12H2,1H3,(H,24,25,26)