3-methyl-2-(7H-purin-6-ylsulfanyl)butanoic acid

Systemtic Name: 3-methyl-2-(7H-purin-6-ylsulfanyl)butanoic acid Openeye Name: 3-methyl-2-(7H-purin-6-ylsulfanyl)butanoic acid CAS Name: 3-methyl-2-(7H-purin-6-ylthio)butanoic acid IUPAC Name: 3-methyl-2-(7H-purin-6-ylsulfanyl)butanoic acid Traditional Name: 3-methyl-2-(7H-purin-6-ylthio)butyric acid Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O2S/c1-5(2)7(10(15)16)17-9-6-8(12-3-11-6)13-4-14-9/h3-5,7H,1-2H3,(H,15,16)(H,11,12,13,14)