7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2,3-bis[(4-fluorobenzyl)oxy]propyl]-1,3-dimethyl-xanthine Formula: C24H24F2N4O4 MolecularWeight: 470.468566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COCC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H24F2N4O4/c1-28-22-21(23(31)29(2)24(28)32)30(15-27-22)11-20(34-13-17-5-9-19(26)10-6-17)14-33-12-16-3-7-18(25)8-4-16/h3-10,15,20H,11-14H2,1-2H3