2-acetamido-3-(7H-purin-6-ylsulfanyl)propanoic acid

Systemtic Name: 2-acetamido-3-(7H-purin-6-ylsulfanyl)propanoic acid Openeye Name: 2-acetamido-3-(7H-purin-6-ylsulfanyl)propanoic acid CAS Name: 2-acetamido-3-(7H-purin-6-ylthio)propanoic acid IUPAC Name: 2-acetamido-3-(7H-purin-6-ylsulfanyl)propanoic acid Traditional Name: 2-acetamido-3-(7H-purin-6-ylthio)propionic acid Formula: C10H11N5O3S MolecularWeight: 281.29104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=NC=NC2=C1NC=N2)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=NC=NC2=C1NC=N2)C(=O)O

InChI

InChI=1S/C10H11N5O3S/c1-5(16)15-6(10(17)18)2-19-9-7-8(12-3-11-7)13-4-14-9/h3-4,6H,2H2,1H3,(H,15,16)(H,17,18)(H,11,12,13,14)