9-ethyl-2,8-dimethyl-3,7-dihydropurin-9-ium-6-one

Systemtic Name: 9-ethyl-2,8-dimethyl-3,7-dihydropurin-9-ium-6-one Openeye Name: 9-ethyl-2,8-dimethyl-3,7-dihydropurin-9-ium-6-one CAS Name: 9-ethyl-2,8-dimethyl-3,7-dihydropurin-9-ium-6-one IUPAC Name: 9-ethyl-2,8-dimethyl-3,7-dihydropurin-9-ium-6-one Traditional Name: 9-ethyl-2,8-dimethyl-3,7-dihydropurin-9-ium-6-one Formula: C9H13N4O+ MolecularWeight: 193.22572

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=C1NC(=NC2=O)C)C

Isomeric SMILES

CC[N+]1=C(NC2=C1NC(=NC2=O)C)C

InChI

InChI=1S/C9H12N4O/c1-4-13-6(3)12-7-8(13)10-5(2)11-9(7)14/h4H2,1-3H3,(H,10,11,14)/p+1