[6-(3-azanylpropanoyloxymethylsulfanyl)purin-9-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-(3-azanylpropanoyloxymethylsulfanyl)purin-9-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-(3-aminopropanoyloxymethylsulfanyl)purin-9-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[(3-amino-1-oxopropoxy)methylthio]-9-purinyl]methyl ester IUPAC Name: [6-(3-aminopropanoyloxymethylsulfanyl)purin-9-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-(3-aminopropanoyloxymethylthio)purin-9-yl]methyl ester Formula: C15H21N5O4S MolecularWeight: 367.42334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=C1N=CN=C2SCOC(=O)CCN

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=C1N=CN=C2SCOC(=O)CCN

InChI

InChI=1S/C15H21N5O4S/c1-15(2,3)14(22)23-8-20-7-19-11-12(20)17-6-18-13(11)25-9-24-10(21)4-5-16/h6-7H,4-5,8-9,16H2,1-3H3