2-azanyl-9-[1,3,4-tris(oxidanyl)butan-2-yloxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[1,3,4-tris(oxidanyl)butan-2-yloxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[2,3-dihydroxy-1-(hydroxymethyl)propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-(1,3,4-trihydroxybutan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(1,3,4-trihydroxybutan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-[(2,3-dihydroxy-1-methylol-propoxy)methyl]-3H-purin-6-one Formula: C10H15N5O5 MolecularWeight: 285.2566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5O5/c11-10-13-8-7(9(19)14-10)12-3-15(8)4-20-6(2-17)5(18)1-16/h3,5-6,16-18H,1-2,4H2,(H3,11,13,14,19)