2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Traditional Name: 2-amino-9-(4-hydroxy-3-methylol-butyl)-1,7-dimethyl-1,8-dihydropurin-1-ium-6-one iodide Formula: C12H22IN5O3 MolecularWeight: 411.23925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O3.HI/c1-15-7-17(4-3-8(5-18)6-19)10-9(15)11(20)16(2)12(13)14-10;/h8,18-19H,3-7H2,1-2H3,(H2,13,14);1H