[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-2-(2-azidoethanoyloxy)propyl] 2-azidoethanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-2-(2-azidoethanoyloxy)propyl] 2-azidoethanoate Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-(2-azidoacetyl)oxy-propyl] 2-azidoacetate CAS Name: 2-azidoacetic acid [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-(2-azido-1-oxoethoxy)propyl] ester IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-(2-azidoacetyl)oxypropyl] 2-azidoacetate Traditional Name: 2-azidoacetic acid [3-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-2-(2-azidoacetyl)oxy-propyl] ester Formula: C13H15N11O6 MolecularWeight: 421.3283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCC(COC(=O)CN=[N+]=[N-])OC(=O)CN=[N+]=[N-])NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCC(COC(=O)CN=[N+]=[N-])OC(=O)CN=[N+]=[N-])NC(=NC2=O)N

InChI

InChI=1S/C13H15N11O6/c14-13-20-11-10(12(27)21-13)17-5-24(11)6-28-3-7(30-9(26)2-19-23-16)4-29-8(25)1-18-22-15/h5,7H,1-4,6H2,(H3,14,20,21,27)