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

Systemtic Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoranyl-3-oxidanyl-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H32FN5O4 MolecularWeight: 485.551083

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C25H32FN5O4/c1-2-35-19-11-20(22(26)21(33)12-19)30-14-15-13-27-24(28-16-7-9-18(32)10-8-16)29-23(15)31(25(30)34)17-5-3-4-6-17/h11-13,16-18,32-33H,2-10,14H2,1H3,(H,27,28,29)