2-azanyl-9-[[(2S)-1-azido-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2S)-1-azido-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1S)-1-(azidomethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2S)-1-azido-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2S)-1-azido-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1S)-1-(azidomethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C9H12N8O3 MolecularWeight: 280.24338

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CN=[N+]=[N-])CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CO[C@@H](CN=[N+]=[N-])CO)NC(=NC2=O)N

InChI

InChI=1S/C9H12N8O3/c10-9-14-7-6(8(19)15-9)12-3-17(7)4-20-5(2-18)1-13-16-11/h3,5,18H,1-2,4H2,(H3,10,14,15,19)/t5-/m0/s1