8-(1,3-benzodioxol-5-yloxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yloxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-1-(4-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C21H17FN4O5 MolecularWeight: 424.381883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C

InChI

InChI=1S/C21H17FN4O5/c1-24-17-18(23-20(24)31-14-7-8-15-16(9-14)30-11-29-15)25(2)21(28)26(19(17)27)10-12-3-5-13(22)6-4-12/h3-9H,10-11H2,1-2H3