1,3-dimethylspiro[9H-purin-3-ium-8,1'-cyclohexane]-2,6-dione

Systemtic Name: 1,3-dimethylspiro[9H-purin-3-ium-8,1'-cyclohexane]-2,6-dione Openeye Name: 1,3-dimethylspiro[9H-purin-3-ium-8,1'-cyclohexane]-2,6-dione CAS Name: 1,3-dimethylspiro[9H-purin-3-ium-8,1'-cyclohexane]-2,6-dione IUPAC Name: 1,3-dimethylspiro[9H-purin-3-ium-8,1'-cyclohexane]-2,6-dione Traditional Name: 1,3-dimethylspiro[9H-purin-3-ium-8,1'-cyclohexane]-2,6-quinone Formula: C12H17N4O2+ MolecularWeight: 249.28898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC3(CCCCC3)NC2=[N+](C1=O)C

Isomeric SMILES

CN1C(=O)C2=NC3(CCCCC3)NC2=[N+](C1=O)C

InChI

InChI=1S/C12H16N4O2/c1-15-9-8(10(17)16(2)11(15)18)13-12(14-9)6-4-3-5-7-12/h3-7H2,1-2H3/p+1