2-(6-azanyl-3-methyl-purin-3-ium-9-yl)ethanoic acid

Systemtic Name: 2-(6-azanyl-3-methyl-purin-3-ium-9-yl)ethanoic acid Openeye Name: 2-(6-amino-3-methyl-purin-3-ium-9-yl)acetic acid CAS Name: 2-(6-amino-3-methyl-9-purin-3-iumyl)acetic acid IUPAC Name: 2-(6-amino-3-methylpurin-3-ium-9-yl)acetic acid Traditional Name: 2-(6-amino-3-methyl-purin-3-ium-9-yl)acetic acid Formula: C8H10N5O2+ MolecularWeight: 208.1973

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C(N=C1)N)N=CN2CC(=O)O

Isomeric SMILES

C[N+]1=C2C(=C(N=C1)N)N=CN2CC(=O)O

InChI

InChI=1S/C8H9N5O2/c1-12-3-11-7(9)6-8(12)13(4-10-6)2-5(14)15/h3-4,9H,2H2,1H3,(H,14,15)/p+1