7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C14H13FN4O2 MolecularWeight: 288.277023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C14H13FN4O2/c1-17-12-11(13(20)18(2)14(17)21)19(8-16-12)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3