3-(1H-imidazol-5-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione

Systemtic Name: 3-(1H-imidazol-5-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione Openeye Name: 3-(1H-imidazol-5-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione CAS Name: 3-(1H-imidazol-5-ylmethyl)-6-[2-(methylthio)ethyl]piperazine-2,5-dione IUPAC Name: 3-(1H-imidazol-5-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione Traditional Name: 3-(1H-imidazol-5-ylmethyl)-6-[2-(methylthio)ethyl]piperazine-2,5-quinone Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)NC(C(=O)N1)CC2=CN=CN2

Isomeric SMILES

CSCCC1C(=O)NC(C(=O)N1)CC2=CN=CN2

InChI

InChI=1S/C11H16N4O2S/c1-18-3-2-8-10(16)15-9(11(17)14-8)4-7-5-12-6-13-7/h5-6,8-9H,2-4H2,1H3,(H,12,13)(H,14,17)(H,15,16)