2-(7H-purin-6-ylamino)-4-sulfanyl-butanoic acid

Systemtic Name: 2-(7H-purin-6-ylamino)-4-sulfanyl-butanoic acid Openeye Name: 2-(7H-purin-6-ylamino)-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-(7H-purin-6-ylamino)butanoic acid IUPAC Name: 2-(7H-purin-6-ylamino)-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-2-(7H-purin-6-ylamino)butyric acid Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5O2S/c15-9(16)5(1-2-17)14-8-6-7(11-3-10-6)12-4-13-8/h3-5,17H,1-2H2,(H,15,16)(H2,10,11,12,13,14)