2-(6-azanyl-7-methyl-purin-2-yl)sulfanylethanoate

Systemtic Name: 2-(6-azanyl-7-methyl-purin-2-yl)sulfanylethanoate Openeye Name: 2-(6-amino-7-methyl-purin-2-yl)sulfanylacetate CAS Name: 2-[(6-amino-7-methyl-2-purinyl)thio]acetate IUPAC Name: 2-(6-amino-7-methylpurin-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-7-methyl-purin-2-yl)thio]acetate Formula: C8H8N5O2S- MolecularWeight: 238.24642

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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)/p-1