2-(2H-1,2,3,4-tetrazol-5-ylmethyl)purin-6-one

Systemtic Name: 2-(2H-1,2,3,4-tetrazol-5-ylmethyl)purin-6-one Openeye Name: 2-(2H-tetrazol-5-ylmethyl)purin-6-one CAS Name: 2-(2H-tetrazol-5-ylmethyl)-6-purinone IUPAC Name: 2-(2H-tetrazol-5-ylmethyl)purin-6-one Traditional Name: 2-(2H-tetrazol-5-ylmethyl)purin-6-one Formula: C7H4N8O MolecularWeight: 216.15966

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC(=NC(=O)C2=N1)CC3=NNN=N3

Isomeric SMILES

C1=NC2=NC(=NC(=O)C2=N1)CC3=NNN=N3

InChI

InChI=1S/C7H4N8O/c16-7-5-6(9-2-8-5)10-3(11-7)1-4-12-14-15-13-4/h2H,1H2,(H,12,13,14,15)