2-azanyl-1,7-dimethyl-9-(4-oxidanylbutyl)-1,8-dihydropurin-1-ium-6-one iodide

Systemtic Name: 2-azanyl-1,7-dimethyl-9-(4-oxidanylbutyl)-1,8-dihydropurin-1-ium-6-one iodide Openeye Name: 2-amino-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide CAS Name: 2-amino-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide IUPAC Name: 2-amino-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Traditional Name: 2-amino-9-(4-hydroxybutyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Formula: C11H20IN5O2 MolecularWeight: 381.21327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N5O2.HI/c1-14-7-16(5-3-4-6-17)9-8(14)10(18)15(2)11(12)13-9;/h17H,3-7H2,1-2H3,(H2,12,13);1H