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

Systemtic Name: 6-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-1H-purin-2-one Openeye Name: 6-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1H-purin-2-one CAS Name: 6-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-2-one IUPAC Name: 6-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-2-one Traditional Name: 6-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-1H-purin-2-one Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(NC(=O)N=C2N1COC(CO)CO)N

Isomeric SMILES

C1=NC2=C(NC(=O)N=C2N1COC(CO)CO)N

InChI

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