(2R)-2-acetamido-3-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylsulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylthio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]propanoic acid Traditional Name: (2R)-2-acetamido-3-[2-(2-amino-6-keto-3H-purin-7-yl)ethylthio]propionic acid Formula: C12H16N6O4S MolecularWeight: 340.35824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCN1C=NC2=C1C(=O)N=C(N2)N)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSCCN1C=NC2=C1C(=O)N=C(N2)N)C(=O)O

InChI

InChI=1S/C12H16N6O4S/c1-6(19)15-7(11(21)22)4-23-3-2-18-5-14-9-8(18)10(20)17-12(13)16-9/h5,7H,2-4H2,1H3,(H,15,19)(H,21,22)(H3,13,16,17,20)/t7-/m0/s1