3-purin-7-ylsulfanylpropyl 2,2-dimethylpropanoate

Systemtic Name: 3-purin-7-ylsulfanylpropyl 2,2-dimethylpropanoate Openeye Name: 3-purin-7-ylsulfanylpropyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-(7-purinylthio)propyl ester IUPAC Name: 3-purin-7-ylsulfanylpropyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-(purin-7-ylthio)propyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCSN1C=NC2=NC=NC=C21

Isomeric SMILES

CC(C)(C)C(=O)OCCCSN1C=NC2=NC=NC=C21

InChI

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