2-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[6-(methylamino)-2-(methylthio)-9-purinyl]ethyl ester IUPAC Name: 2-[6-(methylamino)-2-methylsulfanylpurin-9-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[6-(methylamino)-2-(methylthio)purin-9-yl]ethyl ester Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCN1C=NC2=C1N=C(N=C2NC)SC

Isomeric SMILES

CC(C)(C)C(=O)OCCN1C=NC2=C1N=C(N=C2NC)SC

InChI

InChI=1S/C14H21N5O2S/c1-14(2,3)12(20)21-7-6-19-8-16-9-10(15-4)17-13(22-5)18-11(9)19/h8H,6-7H2,1-5H3,(H,15,17,18)