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

Systemtic Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[6-(methylamino)-2-propylsulfanyl-purin-9-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[6-(methylamino)-2-(propylthio)-9-purinyl]ethyl ester IUPAC Name: 2-[6-(methylamino)-2-propylsulfanylpurin-9-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[6-(methylamino)-2-(propylthio)purin-9-yl]ethyl ester Formula: C16H25N5O2S MolecularWeight: 351.467

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC)N=CN2CCOC(=O)C(C)(C)C

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC)N=CN2CCOC(=O)C(C)(C)C

InChI

InChI=1S/C16H25N5O2S/c1-6-9-24-15-19-12(17-5)11-13(20-15)21(10-18-11)7-8-23-14(22)16(2,3)4/h10H,6-9H2,1-5H3,(H,17,19,20)