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

Systemtic Name: (6-chloranyl-2-methylsulfanyl-purin-9-yl)methyl 2,2-dimethylpropanoate Openeye Name: (6-chloro-2-methylsulfanyl-purin-9-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-chloro-2-(methylthio)-9-purinyl]methyl ester IUPAC Name: (6-chloro-2-methylsulfanylpurin-9-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-chloro-2-(methylthio)purin-9-yl]methyl ester Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O2S/c1-12(2,3)10(18)19-6-17-5-14-7-8(13)15-11(20-4)16-9(7)17/h5H,6H2,1-4H3