2-azanyl-9-(2-hydroxyethyloxymethyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Formula: C10H18IN5O3 MolecularWeight: 383.18609

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(=O)C2=C(N=C1N)N(CN2C)COCCO.[I-]

Isomeric SMILES

C[NH+]1C(=O)C2=C(N=C1N)N(CN2C)COCCO.[I-]

InChI

InChI=1S/C10H17N5O3.HI/c1-13-5-15(6-18-4-3-16)8-7(13)9(17)14(2)10(11)12-8;/h16H,3-6H2,1-2H3,(H2,11,12);1H