2-acetamido-3-(7H-purin-2-ylsulfanyl)propanoic acid

Systemtic Name: 2-acetamido-3-(7H-purin-2-ylsulfanyl)propanoic acid Openeye Name: 2-acetamido-3-(7H-purin-2-ylsulfanyl)propanoic acid CAS Name: 2-acetamido-3-(7H-purin-2-ylthio)propanoic acid IUPAC Name: 2-acetamido-3-(7H-purin-2-ylsulfanyl)propanoic acid Traditional Name: 2-acetamido-3-(7H-purin-2-ylthio)propionic acid Formula: C10H11N5O3S MolecularWeight: 281.29104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=NC=C2C(=N1)N=CN2)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=NC=C2C(=N1)N=CN2)C(=O)O

InChI

InChI=1S/C10H11N5O3S/c1-5(16)14-7(9(17)18)3-19-10-11-2-6-8(15-10)13-4-12-6/h2,4,7H,3H2,1H3,(H,14,16)(H,17,18)(H,11,12,13,15)