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

Systemtic Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoranyl-3-methoxy-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H34FN5O4 MolecularWeight: 499.577663

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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)O)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN5O4/c1-3-36-20-12-21(23(27)22(13-20)35-2)31-15-16-14-28-25(29-17-8-10-19(33)11-9-17)30-24(16)32(26(31)34)18-6-4-5-7-18/h12-14,17-19,33H,3-11,15H2,1-2H3,(H,28,29,30)