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

Systemtic Name: 1-cyclopentyl-3-(3-ethoxy-2-fluoranyl-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(3-ethoxy-2-fluoro-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(3-ethoxy-2-fluorophenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(3-ethoxy-2-fluorophenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(3-ethoxy-2-fluoro-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H32FN5O3 MolecularWeight: 469.551683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)O

Isomeric SMILES

CCOC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)O

InChI

InChI=1S/C25H32FN5O3/c1-2-34-21-9-5-8-20(22(21)26)30-15-16-14-27-24(28-17-10-12-19(32)13-11-17)29-23(16)31(25(30)33)18-6-3-4-7-18/h5,8-9,14,17-19,32H,2-4,6-7,10-13,15H2,1H3,(H,27,28,29)