[2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]purin-6-yl]-trimethyl-azanium

Systemtic Name: [2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]purin-6-yl]-trimethyl-azanium Openeye Name: [2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]purin-6-yl]-trimethyl-ammonium CAS Name: [2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-6-purinyl]-trimethylammonium IUPAC Name: [2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-yl]-trimethylazanium Traditional Name: [2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]purin-6-yl]-trimethyl-ammonium Formula: C12H21N6O3+ MolecularWeight: 297.33354

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=NC(=NC2=C1N=CN2COC(CO)CO)N

Isomeric SMILES

C[N+](C)(C)C1=NC(=NC2=C1N=CN2COC(CO)CO)N

InChI

InChI=1S/C12H21N6O3/c1-18(2,3)11-9-10(15-12(13)16-11)17(6-14-9)7-21-8(4-19)5-20/h6,8,19-20H,4-5,7H2,1-3H3,(H2,13,15,16)/q+1