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

Systemtic Name: 2-azanyl-9-[1,2,3-tris(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1,2-dihydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-(1,2,3-trihydroxypropan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(1,2,3-trihydroxypropan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-[(1,2-dihydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C9H13N5O5 MolecularWeight: 271.23002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N5O5/c10-8-12-6-5(7(17)13-8)11-3-14(6)4-19-9(18,1-15)2-16/h3,15-16,18H,1-2,4H2,(H3,10,12,13,17)