2-(6-azanyl-7-methyl-purin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-azanyl-7-methyl-purin-2-yl)sulfanylethanoic acid Openeye Name: 2-(6-amino-7-methyl-purin-2-yl)sulfanylacetic acid CAS Name: 2-[(6-amino-7-methyl-2-purinyl)thio]acetic acid IUPAC Name: 2-(6-amino-7-methylpurin-2-yl)sulfanylacetic acid Traditional Name: 2-[(6-amino-7-methyl-purin-2-yl)thio]acetic acid Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=NC(=N2)SCC(=O)O)N

Isomeric SMILES

CN1C=NC2=C1C(=NC(=N2)SCC(=O)O)N

InChI

InChI=1S/C8H9N5O2S/c1-13-3-10-7-5(13)6(9)11-8(12-7)16-2-4(14)15/h3H,2H2,1H3,(H,14,15)(H2,9,11,12)