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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoranyl-3-oxidanyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H33FN6O3 MolecularWeight: 484.566323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)N)F)O

Isomeric SMILES

CCOC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)N)F)O

InChI

InChI=1S/C25H33FN6O3/c1-2-35-19-11-20(22(26)21(33)12-19)31-14-15-13-28-24(29-17-9-7-16(27)8-10-17)30-23(15)32(25(31)34)18-5-3-4-6-18/h11-13,16-18,33H,2-10,14,27H2,1H3,(H,28,29,30)