tert-butyl 3-(6-methylsulfanylpurin-9-yl)propanoate

Systemtic Name: tert-butyl 3-(6-methylsulfanylpurin-9-yl)propanoate Openeye Name: tert-butyl 3-(6-methylsulfanylpurin-9-yl)propanoate CAS Name: 3-[6-(methylthio)-9-purinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(6-methylsulfanylpurin-9-yl)propanoate Traditional Name: 3-[6-(methylthio)purin-9-yl]propionic acid tert-butyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2SC

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2SC

InChI

InChI=1S/C13H18N4O2S/c1-13(2,3)19-9(18)5-6-17-8-16-10-11(17)14-7-15-12(10)20-4/h7-8H,5-6H2,1-4H3