2-(7H-purin-6-ylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(7H-purin-6-ylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(7H-purin-6-ylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(7H-purin-6-ylamino)propanoic acid IUPAC Name: 2-(7H-purin-6-ylamino)-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(7H-purin-6-ylamino)propionic acid Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)NC(CS)C(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)NC(CS)C(=O)O

InChI

InChI=1S/C8H9N5O2S/c14-8(15)4(1-16)13-7-5-6(10-2-9-5)11-3-12-7/h2-4,16H,1H2,(H,14,15)(H2,9,10,11,12,13)