[6-(2,2-dimethylpropanoyloxymethylsulfanyl)purin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-(2,2-dimethylpropanoyloxymethylsulfanyl)purin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-(2,2-dimethylpropanoyloxymethylsulfanyl)purin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[(2,2-dimethyl-1-oxopropoxy)methylthio]-3-purinyl]methyl ester IUPAC Name: [6-(2,2-dimethylpropanoyloxymethylsulfanyl)purin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-(pivaloyloxymethylthio)purin-3-yl]methyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC(=C2C1=NC=N2)SCOC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC(=C2C1=NC=N2)SCOC(=O)C(C)(C)C

InChI

InChI=1S/C17H24N4O4S/c1-16(2,3)14(22)24-9-21-8-20-13(11-12(21)19-7-18-11)26-10-25-15(23)17(4,5)6/h7-8H,9-10H2,1-6H3