2-[(2-methyl-6-oxidanylidene-3,5-dihydropurin-8-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(2-methyl-6-oxidanylidene-3,5-dihydropurin-8-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2-methyl-6-oxo-3,5-dihydropurin-8-yl)sulfanyl]acetic acid CAS Name: 2-[(2-methyl-6-oxo-3,5-dihydropurin-8-yl)thio]acetic acid IUPAC Name: 2-[(2-methyl-6-oxo-3,5-dihydropurin-8-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-keto-2-methyl-3,5-dihydropurin-8-yl)thio]acetic acid Formula: C8H8N4O3S MolecularWeight: 240.23912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2C(=NC(=N2)SCC(=O)O)N1

Isomeric SMILES

CC1=NC(=O)C2C(=NC(=N2)SCC(=O)O)N1

InChI

InChI=1S/C8H8N4O3S/c1-3-9-6-5(7(15)10-3)11-8(12-6)16-2-4(13)14/h5H,2H2,1H3,(H,13,14)(H,9,10,11,12,15)