3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-1-cyclopentyl-7-[[(2S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]methylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-1-cyclopentyl-7-[[(2S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]methylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-[[(2S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]methylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-[[(2S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]methylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-[[(2S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]methylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-[[(2S,5S)-5-methylol-2-phenyl-1,3-dioxan-4-yl]methylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C31H35F2N5O6 MolecularWeight: 611.636306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCC5C(COC(O5)C6=CC=CC=C6)CO)F)OC

Isomeric SMILES

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCC5[C@H](CO[C@@H](O5)C6=CC=CC=C6)CO)F)OC

InChI

InChI=1S/C31H35F2N5O6/c1-41-22-12-23(42-2)26(33)27(25(22)32)37-15-19-13-34-30(36-28(19)38(31(37)40)21-10-6-7-11-21)35-14-24-20(16-39)17-43-29(44-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,20-21,24,29,39H,6-7,10-11,14-17H2,1-2H3,(H,34,35,36)/t20-,24?,29-/m0/s1