[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(2,3-diazidopropoxy)methyl] ethanoate

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(2,3-diazidopropoxy)methyl] ethanoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(2,3-diazidopropoxy)methyl] acetate CAS Name: acetic acid [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(2,3-diazidopropoxy)methyl] ester IUPAC Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(2,3-diazidopropoxy)methyl] acetate Traditional Name: acetic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(2,3-diazidopropoxy)methyl] ester Formula: C11H15N11O4 MolecularWeight: 365.3081

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCC(CN=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCC(CN=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C11H15N11O4/c1-5(23)26-11(25-3-6(19-21-14)2-16-20-13)22-4-15-7-8(22)17-10(12)18-9(7)24/h6,11,15H,2-4H2,1H3,(H3,12,17,18,24)