2-ethyl-7-[(3-fluorophenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-ethyl-7-[(3-fluorophenyl)methyl]-3H-purin-6-one Openeye Name: 2-ethyl-7-[(3-fluorophenyl)methyl]-3H-purin-6-one CAS Name: 2-ethyl-7-[(3-fluorophenyl)methyl]-3H-purin-6-one IUPAC Name: 2-ethyl-7-[(3-fluorophenyl)methyl]-3H-purin-6-one Traditional Name: 2-ethyl-7-(3-fluorobenzyl)-3H-purin-6-one Formula: C14H13FN4O MolecularWeight: 272.277623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC(=CC=C3)F

InChI

InChI=1S/C14H13FN4O/c1-2-11-17-13-12(14(20)18-11)19(8-16-13)7-9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,17,18,20)