8-ethyl-1,3-dimethyl-7-oxidanidyl-4H-purin-7-ium-2,6-dione

Systemtic Name: 8-ethyl-1,3-dimethyl-7-oxidanidyl-4H-purin-7-ium-2,6-dione Openeye Name: 8-ethyl-1,3-dimethyl-7-oxido-4H-purin-7-ium-2,6-dione CAS Name: 8-ethyl-1,3-dimethyl-7-oxido-4H-purin-7-ium-2,6-dione IUPAC Name: 8-ethyl-1,3-dimethyl-7-oxido-4H-purin-7-ium-2,6-dione Traditional Name: 8-ethyl-1,3-dimethyl-7-oxido-4H-purin-7-ium-2,6-quinone Formula: C9H12N4O3 MolecularWeight: 224.21658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2C(=[N+]1[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2C(=[N+]1[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C9H12N4O3/c1-4-5-10-7-6(13(5)16)8(14)12(3)9(15)11(7)2/h7H,4H2,1-3H3