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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoranyl-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H35FN6O3 MolecularWeight: 498.592903

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H35FN6O3/c1-3-36-20-12-21(23(27)22(13-20)35-2)32-15-16-14-29-25(30-18-10-8-17(28)9-11-18)31-24(16)33(26(32)34)19-6-4-5-7-19/h12-14,17-19H,3-11,15,28H2,1-2H3,(H,29,30,31)