2-azanyl-9-[[(2S)-1,4-bis(oxidanyl)butan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2S)-1,4-bis(oxidanyl)butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1S)-3-hydroxy-1-(hydroxymethyl)propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S)-1,4-dihydroxybutan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S)-1,4-dihydroxybutan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1S)-3-hydroxy-1-methylol-propoxy]methyl]-3H-purin-6-one Formula: C10H15N5O4 MolecularWeight: 269.2572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=NC2=C(N1CO[C@@H](CCO)CO)NC(=NC2=O)N

InChI

InChI=1S/C10H15N5O4/c11-10-13-8-7(9(18)14-10)12-4-15(8)5-19-6(3-17)1-2-16/h4,6,16-17H,1-3,5H2,(H3,11,13,14,18)/t6-/m0/s1