(2R)-2-acetamido-3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanoate

Systemtic Name: (2R)-2-acetamido-3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanoate Openeye Name: (2R)-2-acetamido-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanoate CAS Name: (2R)-2-acetamido-3-[(2-chloro-7H-purin-6-yl)thio]propanoate IUPAC Name: (2R)-2-acetamido-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanoate Traditional Name: (2R)-2-acetamido-3-[(2-chloro-7H-purin-6-yl)thio]propionate Formula: C10H9ClN5O3S- MolecularWeight: 314.72816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=NC(=NC2=C1NC=N2)Cl)C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CSC1=NC(=NC2=C1NC=N2)Cl)C(=O)[O-]

InChI

InChI=1S/C10H10ClN5O3S/c1-4(17)14-5(9(18)19)2-20-8-6-7(13-3-12-6)15-10(11)16-8/h3,5H,2H2,1H3,(H,14,17)(H,18,19)(H,12,13,15,16)/p-1/t5-/m0/s1