6-(azepan-1-yl)-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylic acid

Systemtic Name: 6-(azepan-1-yl)-9-methyl-7-oxidanidyl-purin-7-ium-8-carboxylic acid Openeye Name: 6-(azepan-1-yl)-9-methyl-7-oxido-purin-7-ium-8-carboxylic acid CAS Name: 6-(1-azepanyl)-9-methyl-7-oxido-8-purin-7-iumcarboxylic acid IUPAC Name: 6-(azepan-1-yl)-9-methyl-7-oxidopurin-7-ium-8-carboxylic acid Traditional Name: 6-(azepan-1-yl)-9-methyl-7-oxido-purin-7-ium-8-carboxylic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N3CCCCCC3)[N+](=C1C(=O)O)[O-]

Isomeric SMILES

CN1C2=C(C(=NC=N2)N3CCCCCC3)[N+](=C1C(=O)O)[O-]

InChI

InChI=1S/C13H17N5O3/c1-16-10-9(18(21)12(16)13(19)20)11(15-8-14-10)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,19,20)