2-azanyl-7-(2-hydroxyethyl)-9-methyl-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-7-(2-hydroxyethyl)-9-methyl-3H-purin-9-ium-6-one Openeye Name: 2-amino-7-(2-hydroxyethyl)-9-methyl-3H-purin-9-ium-6-one CAS Name: 2-amino-7-(2-hydroxyethyl)-9-methyl-3H-purin-9-ium-6-one IUPAC Name: 2-amino-7-(2-hydroxyethyl)-9-methyl-3H-purin-9-ium-6-one Traditional Name: 2-amino-7-(2-hydroxyethyl)-9-methyl-3H-purin-9-ium-6-one Formula: C8H12N5O2+ MolecularWeight: 210.21318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1NC(=NC2=O)N)CCO

Isomeric SMILES

C[N+]1=CN(C2=C1NC(=NC2=O)N)CCO

InChI

InChI=1S/C8H11N5O2/c1-12-4-13(2-3-14)5-6(12)10-8(9)11-7(5)15/h4,14H,2-3H2,1H3,(H2-,9,10,11,15)/p+1