3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanoate

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanoate Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanoate CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]propanoate IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanoate Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]propionate Formula: C8H6ClN4O2S- MolecularWeight: 257.67684

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)Cl)SCCC(=O)[O-]

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)Cl)SCCC(=O)[O-]

InChI

InChI=1S/C8H7ClN4O2S/c9-8-12-6-5(10-3-11-6)7(13-8)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H,10,11,12,13)/p-1