3-(2-hydroxyethyloxymethyl)-1,6-dimethyl-imidazo[1,2-a]purin-3-ium-9-olate

Systemtic Name: 3-(2-hydroxyethyloxymethyl)-1,6-dimethyl-imidazo[1,2-a]purin-3-ium-9-olate Openeye Name: 3-(2-hydroxyethoxymethyl)-1,6-dimethyl-imidazo[1,2-a]purin-3-ium-9-olate CAS Name: 3-(2-hydroxyethoxymethyl)-1,6-dimethyl-9-imidazo[1,2-a]purin-3-iumolate IUPAC Name: 3-(2-hydroxyethoxymethyl)-1,6-dimethylimidazo[1,2-a]purin-3-ium-9-olate Traditional Name: 3-(2-hydroxyethoxymethyl)-1,6-dimethyl-imidazo[1,2-a]purin-3-ium-9-olate Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=C3C(=NC2=N1)[N+](=CN3C)COCCO)[O-]

Isomeric SMILES

CC1=CN2C(=C3C(=NC2=N1)[N+](=CN3C)COCCO)[O-]

InChI

InChI=1S/C12H15N5O3/c1-8-5-17-11(19)9-10(14-12(17)13-8)16(6-15(9)2)7-20-4-3-18/h5-6,18H,3-4,7H2,1-2H3