2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; ethanoic acid

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; ethanoic acid Openeye Name: acetic acid; 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: acetic acid; 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: acetic acid; 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one Traditional Name: acetic acid; 2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C11H17N5O6 MolecularWeight: 315.28258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

Isomeric SMILES

CC(=O)O.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4.C2H4O2/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;1-2(3)4/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);1H3,(H,3,4)