6-azanyl-3-ethyl-9-methyl-7H-purin-3-ium-8-one chloride

Systemtic Name: 6-azanyl-3-ethyl-9-methyl-7H-purin-3-ium-8-one chloride Openeye Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one chloride CAS Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one chloride IUPAC Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one chloride Traditional Name: 6-amino-3-ethyl-9-methyl-7H-purin-3-ium-8-one chloride Formula: C8H12ClN5O MolecularWeight: 229.66678

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=C(N=C1)N)NC(=O)N2C.[Cl-]

Isomeric SMILES

CC[N+]1=C2C(=C(N=C1)N)NC(=O)N2C.[Cl-]

InChI

InChI=1S/C8H11N5O.ClH/c1-3-13-4-10-6(9)5-7(13)12(2)8(14)11-5;/h4,9H,3H2,1-2H3,(H,11,14);1H