ethyl 2-methyl-2-(7H-purin-6-ylsulfanyl)propanoate

Systemtic Name: ethyl 2-methyl-2-(7H-purin-6-ylsulfanyl)propanoate Openeye Name: ethyl 2-methyl-2-(7H-purin-6-ylsulfanyl)propanoate CAS Name: 2-methyl-2-(7H-purin-6-ylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-(7H-purin-6-ylsulfanyl)propanoate Traditional Name: 2-methyl-2-(7H-purin-6-ylthio)propionic acid ethyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C11H14N4O2S/c1-4-17-10(16)11(2,3)18-9-7-8(13-5-12-7)14-6-15-9/h5-6H,4H2,1-3H3,(H,12,13,14,15)