[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethylsulfanyl]purin-9-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethylsulfanyl]purin-9-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-[3-(tert-butoxycarbonylamino)propanoyloxymethylsulfanyl]purin-9-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]methylthio]-9-purinyl]methyl ester IUPAC Name: [6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethylsulfanyl]purin-9-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-[3-(tert-butoxycarbonylamino)propanoyloxymethylthio]purin-9-yl]methyl ester Formula: C20H29N5O6S MolecularWeight: 467.53916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=C1N=CN=C2SCOC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=C1N=CN=C2SCOC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N5O6S/c1-19(2,3)17(27)29-11-25-10-24-14-15(25)22-9-23-16(14)32-12-30-13(26)7-8-21-18(28)31-20(4,5)6/h9-10H,7-8,11-12H2,1-6H3,(H,21,28)