2-[[2-(7H-purin-6-ylamino)-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(7H-purin-6-ylamino)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(7H-purin-6-ylamino)-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[3-mercapto-1-oxo-2-(7H-purin-6-ylamino)propyl]amino]acetic acid IUPAC Name: 2-[[2-(7H-purin-6-ylamino)-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[3-mercapto-2-(7H-purin-6-ylamino)propanoyl]amino]acetic acid Formula: C10H12N6O3S MolecularWeight: 296.30568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N6O3S/c17-6(18)1-11-10(19)5(2-20)16-9-7-8(13-3-12-7)14-4-15-9/h3-5,20H,1-2H2,(H,11,19)(H,17,18)(H2,12,13,14,15,16)