2-[(4,6-dimethyl-5-oxidanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4,6-dimethyl-5-oxidanylidene-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)thio]acetic acid IUPAC Name: 2-[(4,6-dimethyl-5-oxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-keto-4,6-dimethyl-3a,6a-dihydro-1H-imidaz[4,5-d]imidazol-2-yl)thio]acetic acid Formula: C8H12N4O3S MolecularWeight: 244.27088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(N=C(N2)SCC(=O)O)N(C1=O)C

Isomeric SMILES

CN1C2C(N=C(N2)SCC(=O)O)N(C1=O)C

InChI

InChI=1S/C8H12N4O3S/c1-11-5-6(12(2)8(11)15)10-7(9-5)16-3-4(13)14/h5-6H,3H2,1-2H3,(H,9,10)(H,13,14)