2-[(2-azanyl-5H-purin-6-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(2-azanyl-5H-purin-6-yl)sulfanyl]propanoic acid Openeye Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]propanoic acid CAS Name: 2-[(2-amino-5H-purin-6-yl)thio]propanoic acid IUPAC Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]propanoic acid Traditional Name: 2-[(2-amino-5H-purin-6-yl)thio]propionic acid Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=NC2=NC=NC21)N

Isomeric SMILES

CC(C(=O)O)SC1=NC(=NC2=NC=NC21)N

InChI

InChI=1S/C8H9N5O2S/c1-3(7(14)15)16-6-4-5(11-2-10-4)12-8(9)13-6/h2-4H,1H3,(H,14,15)(H2,9,10,11,12)