2-(7-ethylpurin-6-yl)sulfanylethanoic acid

Systemtic Name: 2-(7-ethylpurin-6-yl)sulfanylethanoic acid Openeye Name: 2-(7-ethylpurin-6-yl)sulfanylacetic acid CAS Name: 2-[(7-ethyl-6-purinyl)thio]acetic acid IUPAC Name: 2-(7-ethylpurin-6-yl)sulfanylacetic acid Traditional Name: 2-[(7-ethylpurin-6-yl)thio]acetic acid Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC=N2)SCC(=O)O

Isomeric SMILES

CCN1C=NC2=C1C(=NC=N2)SCC(=O)O

InChI

InChI=1S/C9H10N4O2S/c1-2-13-5-12-8-7(13)9(11-4-10-8)16-3-6(14)15/h4-5H,2-3H2,1H3,(H,14,15)