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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2-fluoranyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2-fluoro-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2-fluorophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2-fluorophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2-fluoro-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H33FN6O2 MolecularWeight: 468.566923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33FN6O2/c1-2-34-21-9-5-8-20(22(21)26)31-15-16-14-28-24(29-18-12-10-17(27)11-13-18)30-23(16)32(25(31)33)19-6-3-4-7-19/h5,8-9,14,17-19H,2-4,6-7,10-13,15,27H2,1H3,(H,28,29,30)