7-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-3H-purin-6-one hydrochloride

Systemtic Name: 7-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-3H-purin-6-one hydrochloride Openeye Name: 7-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-3H-purin-6-one hydrochloride CAS Name: 7-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-3H-purin-6-one hydrochloride IUPAC Name: 7-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-3H-purin-6-one hydrochloride Traditional Name: 7-(4-fluorobenzyl)-2-(methylaminomethyl)-3H-purin-6-one hydrochloride Formula: C14H15ClFN5O MolecularWeight: 323.753203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)F.Cl

Isomeric SMILES

CNCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)F.Cl

InChI

InChI=1S/C14H14FN5O.ClH/c1-16-6-11-18-13-12(14(21)19-11)20(8-17-13)7-9-2-4-10(15)5-3-9;/h2-5,8,16H,6-7H2,1H3,(H,18,19,21);1H