7-[1,3-bis(oxidanyl)propan-2-ylamino]-1-cyclopentyl-3-(2-fluoranyl-3,5-dimethoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 7-[1,3-bis(oxidanyl)propan-2-ylamino]-1-cyclopentyl-3-(2-fluoranyl-3,5-dimethoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-7-(1,3-dihydroxypropan-2-ylamino)-3-(2-fluoro-3,5-dimethoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-7-(1,3-dihydroxypropan-2-ylamino)-3-(2-fluoro-3,5-dimethoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-[(2-hydroxy-1-methylol-ethyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H28FN5O5 MolecularWeight: 461.486623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC(CO)CO)F)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC(CO)CO)F)OC

InChI

InChI=1S/C22H28FN5O5/c1-32-16-7-17(19(23)18(8-16)33-2)27-10-13-9-24-21(25-14(11-29)12-30)26-20(13)28(22(27)31)15-5-3-4-6-15/h7-9,14-15,29-30H,3-6,10-12H2,1-2H3,(H,24,25,26)