(6-chloranyl-2-cyano-purin-9-yl)methyl 2,2-dimethylpropanoate

Systemtic Name: (6-chloranyl-2-cyano-purin-9-yl)methyl 2,2-dimethylpropanoate Openeye Name: (6-chloro-2-cyano-purin-9-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (6-chloro-2-cyano-9-purinyl)methyl ester IUPAC Name: (6-chloro-2-cyanopurin-9-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (6-chloro-2-cyano-purin-9-yl)methyl ester Formula: C12H12ClN5O2 MolecularWeight: 293.70898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=C1N=C(N=C2Cl)C#N

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=C1N=C(N=C2Cl)C#N

InChI

InChI=1S/C12H12ClN5O2/c1-12(2,3)11(19)20-6-18-5-15-8-9(13)16-7(4-14)17-10(8)18/h5H,6H2,1-3H3