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

Systemtic Name: 2-(6-chloranyl-2-phenylazanyl-purin-9-yl)ethanoate Openeye Name: 2-(2-anilino-6-chloro-purin-9-yl)acetate CAS Name: 2-(2-anilino-6-chloro-9-purinyl)acetate IUPAC Name: 2-(2-anilino-6-chloropurin-9-yl)acetate Traditional Name: 2-(2-anilino-6-chloro-purin-9-yl)acetate Formula: C13H9ClN5O2- MolecularWeight: 302.69586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3CC(=O)[O-]

InChI

InChI=1S/C13H10ClN5O2/c14-11-10-12(19(7-15-10)6-9(20)21)18-13(17-11)16-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,20,21)(H,16,17,18)/p-1