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

Systemtic Name: 1-cyclopropyl-3-(3-ethoxy-2-fluoranyl-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-3-(3-ethoxy-2-fluoro-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-3-(3-ethoxy-2-fluorophenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-3-(3-ethoxy-2-fluorophenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-3-(3-ethoxy-2-fluoro-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H28FN5O3 MolecularWeight: 441.498523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)O

Isomeric SMILES

CCOC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)O

InChI

InChI=1S/C23H28FN5O3/c1-2-32-19-5-3-4-18(20(19)24)28-13-14-12-25-22(26-15-6-10-17(30)11-7-15)27-21(14)29(23(28)31)16-8-9-16/h3-5,12,15-17,30H,2,6-11,13H2,1H3,(H,25,26,27)