2-(2-azanyl-6-chloranyl-purin-9-yl)ethanoate

Systemtic Name: 2-(2-azanyl-6-chloranyl-purin-9-yl)ethanoate Openeye Name: 2-(2-amino-6-chloro-purin-9-yl)acetate CAS Name: 2-(2-amino-6-chloro-9-purinyl)acetate IUPAC Name: 2-(2-amino-6-chloropurin-9-yl)acetate Traditional Name: 2-(2-amino-6-chloro-purin-9-yl)acetate Formula: C7H5ClN5O2- MolecularWeight: 226.5999

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(=O)[O-])N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CC(=O)[O-])N=C(N=C2Cl)N

InChI

InChI=1S/C7H6ClN5O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)(H2,9,11,12)/p-1