2-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5H-purin-6-one

Systemtic Name: 2-azanyl-7-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5H-purin-6-one Openeye Name: 2-amino-7-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5H-purin-6-one CAS Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-5H-purin-6-one IUPAC Name: 2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-5H-purin-6-one Traditional Name: 2-amino-7-[(2-hydroxy-1-methylol-ethoxy)methyl]-5H-purin-6-one Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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