3-[2,6-bis(fluoranyl)-3-methoxy-phenyl]-1-cyclopentyl-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(fluoranyl)-3-methoxy-phenyl]-1-cyclopentyl-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2,6-difluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2,6-difluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2,6-difluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2,6-difluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H29F2N5O3 MolecularWeight: 473.515566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)O)F

Isomeric SMILES

COC1=C(C(=C(C=C1)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)O)F

InChI

InChI=1S/C24H29F2N5O3/c1-34-19-11-10-18(25)21(20(19)26)30-13-14-12-27-23(28-15-6-8-17(32)9-7-15)29-22(14)31(24(30)33)16-4-2-3-5-16/h10-12,15-17,32H,2-9,13H2,1H3,(H,27,28,29)