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

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C9H13N5O4 MolecularWeight: 258.210093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[13CH]1=[15N]C2=C([15N]1COC(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)/i3+1,11+1,14+1