1-[(4-aminophenyl)methyl]-7H-purin-6-one

Systemtic Name: 1-[(4-aminophenyl)methyl]-7H-purin-6-one Openeye Name: 1-[(4-aminophenyl)methyl]-7H-purin-6-one CAS Name: 1-[(4-aminophenyl)methyl]-7H-purin-6-one IUPAC Name: 1-[(4-aminophenyl)methyl]-7H-purin-6-one Traditional Name: 1-(4-aminobenzyl)-7H-purin-6-one Formula: C12H11N5O MolecularWeight: 241.24864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)NC=N3)N

InChI

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