7-(phenylmethyl)-2-(trifluoromethyl)-3H-purin-6-one

Systemtic Name: 7-(phenylmethyl)-2-(trifluoromethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(trifluoromethyl)-3H-purin-6-one CAS Name: 7-(phenylmethyl)-2-(trifluoromethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(trifluoromethyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(trifluoromethyl)-3H-purin-6-one Formula: C13H9F3N4O MolecularWeight: 294.23197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O/c14-13(15,16)12-18-10-9(11(21)19-12)20(7-17-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,18,19,21)