2-[4-methyl-2-(7H-purin-6-ylsulfanyl)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-(7H-purin-6-ylsulfanyl)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-methyl-2-(7H-purin-6-ylsulfanyl)thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-(7H-purin-6-ylthio)-5-thiazolyl]acetate IUPAC Name: 2-[4-methyl-2-(7H-purin-6-ylsulfanyl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-methyl-2-(7H-purin-6-ylthio)thiazol-5-yl]acetate Formula: C11H8N5O2S2- MolecularWeight: 306.34352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=NC=NC3=C2NC=N3)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SC2=NC=NC3=C2NC=N3)CC(=O)[O-]

InChI

InChI=1S/C11H9N5O2S2/c1-5-6(2-7(17)18)19-11(16-5)20-10-8-9(13-3-12-8)14-4-15-10/h3-4H,2H2,1H3,(H,17,18)(H,12,13,14,15)/p-1