2-azanyl-9-(2-hydroxyethyloxymethyl)-7-methyl-purin-9-ium-6-olate

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-7-methyl-purin-9-ium-6-olate Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-purin-9-ium-6-olate CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-6-purin-9-iumolate IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methylpurin-9-ium-6-olate Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-purin-9-ium-6-olate Formula: C9H13N5O3 MolecularWeight: 239.23122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])COCCO

Isomeric SMILES

CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])COCCO

InChI

InChI=1S/C9H13N5O3/c1-13-4-14(5-17-3-2-15)7-6(13)8(16)12-9(10)11-7/h4,15H,2-3,5H2,1H3,(H2-,10,11,12,16)