9-[2-(4-aminophenyl)ethyl]-3H-purin-6-one

Systemtic Name: 9-[2-(4-aminophenyl)ethyl]-3H-purin-6-one Openeye Name: 9-[2-(4-aminophenyl)ethyl]-3H-purin-6-one CAS Name: 9-[2-(4-aminophenyl)ethyl]-3H-purin-6-one IUPAC Name: 9-[2-(4-aminophenyl)ethyl]-3H-purin-6-one Traditional Name: 9-[2-(4-aminophenyl)ethyl]-3H-purin-6-one Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C=NC3=C2NC=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1CCN2C=NC3=C2NC=NC3=O)N

InChI

InChI=1S/C13H13N5O/c14-10-3-1-9(2-4-10)5-6-18-8-17-11-12(18)15-7-16-13(11)19/h1-4,7-8H,5-6,14H2,(H,15,16,19)