ethanoic acid; 2-(7H-purin-6-ylsulfanyl)ethanethiol

Systemtic Name: ethanoic acid; 2-(7H-purin-6-ylsulfanyl)ethanethiol Openeye Name: acetic acid; 2-(7H-purin-6-ylsulfanyl)ethanethiol CAS Name: acetic acid; 2-(7H-purin-6-ylthio)ethanethiol IUPAC Name: acetic acid; 2-(7H-purin-6-ylsulfanyl)ethanethiol Traditional Name: acetic acid; 2-(7H-purin-6-ylthio)ethanethiol Formula: C9H12N4O2S2 MolecularWeight: 272.34718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=NC2=C(N1)C(=NC=N2)SCCS

Isomeric SMILES

CC(=O)O.C1=NC2=C(N1)C(=NC=N2)SCCS

InChI

InChI=1S/C7H8N4S2.C2H4O2/c12-1-2-13-7-5-6(9-3-8-5)10-4-11-7;1-2(3)4/h3-4,12H,1-2H2,(H,8,9,10,11);1H3,(H,3,4)