6-azanyl-3,7,9-trimethyl-purin-3-ium-8-one chloride

Systemtic Name: 6-azanyl-3,7,9-trimethyl-purin-3-ium-8-one chloride Openeye Name: 6-amino-3,7,9-trimethyl-purin-3-ium-8-one chloride CAS Name: 6-amino-3,7,9-trimethyl-8-purin-3-iumone chloride IUPAC Name: 6-amino-3,7,9-trimethylpurin-3-ium-8-one chloride Traditional Name: 6-amino-3,7,9-trimethyl-purin-3-ium-8-one chloride Formula: C8H12ClN5O MolecularWeight: 229.66678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C[N+](=C2N(C1=O)C)C)N.[Cl-]

Isomeric SMILES

CN1C2=C(N=C[N+](=C2N(C1=O)C)C)N.[Cl-]

InChI

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