8-(3-fluoranylphenoxy)-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-(3-fluoranylphenoxy)-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-(3-fluorophenoxy)-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-(3-fluorophenoxy)-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-(3-fluorophenoxy)-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-(3-fluorophenoxy)-1,3,9-trimethyl-xanthine Formula: C14H13FN4O3 MolecularWeight: 304.276423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1OC3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1OC3=CC(=CC=C3)F

InChI

InChI=1S/C14H13FN4O3/c1-17-11-10(12(20)19(3)14(21)18(11)2)16-13(17)22-9-6-4-5-8(15)7-9/h4-7H,1-3H3