1',3'-dimethyl-7'-oxidanidyl-spiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione

Systemtic Name: 1',3'-dimethyl-7'-oxidanidyl-spiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione Openeye Name: 1',3'-dimethyl-7'-oxido-spiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione CAS Name: 1',3'-dimethyl-7'-oxidospiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione IUPAC Name: 1',3'-dimethyl-7'-oxidospiro[cyclohexane-1,8'-purin-7-ium]-2',6'-dione Traditional Name: 1',3'-dimethyl-7'-oxido-spiro[cyclohexane-1,8'-purin-7-ium]-2',6'-quinone Formula: C12H16N4O3 MolecularWeight: 264.28044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3(CCCCC3)[N+](=C2C(=O)N(C1=O)C)[O-]

Isomeric SMILES

CN1C2=NC3(CCCCC3)[N+](=C2C(=O)N(C1=O)C)[O-]

InChI

InChI=1S/C12H16N4O3/c1-14-9-8(10(17)15(2)11(14)18)16(19)12(13-9)6-4-3-5-7-12/h3-7H2,1-2H3