3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-1-cyclopentyl-7-[2,3,4-tris(oxidanyl)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-1-cyclopentyl-7-[2,3,4-tris(oxidanyl)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(2,3,4-trihydroxybutylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(2,3,4-trihydroxybutylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(2,3,4-trihydroxybutylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(2,3,4-trihydroxybutylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H29F2N5O6 MolecularWeight: 509.503066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCC(C(CO)O)O)F)OC

Isomeric SMILES

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCC(C(CO)O)O)F)OC

InChI

InChI=1S/C23H29F2N5O6/c1-35-16-7-17(36-2)19(25)20(18(16)24)29-10-12-8-26-22(27-9-14(32)15(33)11-31)28-21(12)30(23(29)34)13-5-3-4-6-13/h7-8,13-15,31-33H,3-6,9-11H2,1-2H3,(H,26,27,28)