7-[2-[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methoxy]ethyl]-1,3-bis[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methyl]purine-2,6-dione

Systemtic Name: 7-[2-[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methoxy]ethyl]-1,3-bis[bis(fluoranyl)-[2,3,4-tris(fluoranyl)phenyl]methyl]purine-2,6-dione Openeye Name: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione CAS Name: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione IUPAC Name: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]purine-2,6-dione Traditional Name: 7-[2-[difluoro-(2,3,4-trifluorophenyl)methoxy]ethyl]-1,3-bis[difluoro-(2,3,4-trifluorophenyl)methyl]xanthine Formula: C28H11F15N4O3 MolecularWeight: 736.387988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(N2C3=C(C(=O)N(C2=O)C(C4=C(C(=C(C=C4)F)F)F)(F)F)N(C=N3)CCOC(C5=C(C(=C(C=C5)F)F)F)(F)F)(F)F)F)F)F

Isomeric SMILES

C1=CC(=C(C(=C1C(N2C3=C(C(=O)N(C2=O)C(C4=C(C(=C(C=C4)F)F)F)(F)F)N(C=N3)CCOC(C5=C(C(=C(C=C5)F)F)F)(F)F)(F)F)F)F)F

InChI

InChI=1S/C28H11F15N4O3/c29-13-4-1-10(16(32)19(13)35)26(38,39)46-23-22(24(48)47(25(46)49)27(40,41)11-2-5-14(30)20(36)17(11)33)45(9-44-23)7-8-50-28(42,43)12-3-6-15(31)21(37)18(12)34/h1-6,9H,7-8H2