7-[(4-aminophenyl)methyl]-3H-purin-6-one

Systemtic Name: 7-[(4-aminophenyl)methyl]-3H-purin-6-one Openeye Name: 7-[(4-aminophenyl)methyl]-3H-purin-6-one CAS Name: 7-[(4-aminophenyl)methyl]-3H-purin-6-one IUPAC Name: 7-[(4-aminophenyl)methyl]-3H-purin-6-one Traditional Name: 7-(4-aminobenzyl)-3H-purin-6-one Formula: C12H11N5O MolecularWeight: 241.24864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=CN3)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=CN3)N

InChI

InChI=1S/C12H11N5O/c13-9-3-1-8(2-4-9)5-17-7-16-11-10(17)12(18)15-6-14-11/h1-4,6-7H,5,13H2,(H,14,15,18)