2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]acetic acid IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]acetic acid Formula: C7H5ClN4O2S MolecularWeight: 244.6582

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)Cl)SCC(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)Cl)SCC(=O)O

InChI

InChI=1S/C7H5ClN4O2S/c8-7-11-5-4(9-2-10-5)6(12-7)15-1-3(13)14/h2H,1H2,(H,13,14)(H,9,10,11,12)