8-azanyl-2-(3-methylphenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(3-methylphenyl)purin-6-one Openeye Name: 8-amino-2-(m-tolyl)purin-6-one CAS Name: 8-amino-2-(3-methylphenyl)-6-purinone IUPAC Name: 8-amino-2-(3-methylphenyl)purin-6-one Traditional Name: 8-amino-2-(m-tolyl)purin-6-one Formula: C12H9N5O MolecularWeight: 239.23276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C12H9N5O/c1-6-3-2-4-7(5-6)9-15-10-8(11(18)16-9)14-12(13)17-10/h2-5H,1H3,(H2,13,15,16,17,18)