3-azanyl-6-(1-methylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)hexane-1,2-dione

Systemtic Name: 3-azanyl-6-(1-methylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)hexane-1,2-dione Openeye Name: 3-amino-6-(1-methylimidazol-2-yl)sulfanyl-1-(2-methyl-1-piperidyl)hexane-1,2-dione CAS Name: 3-amino-6-[(1-methyl-2-imidazolyl)thio]-1-(2-methyl-1-piperidinyl)hexane-1,2-dione IUPAC Name: 3-amino-6-(1-methylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)hexane-1,2-dione Traditional Name: 3-amino-6-[(1-methylimidazol-2-yl)thio]-1-(2-methylpiperidino)hexane-1,2-dione Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C(=O)C(CCCSC2=NC=CN2C)N

Isomeric SMILES

CC1CCCCN1C(=O)C(=O)C(CCCSC2=NC=CN2C)N

InChI

InChI=1S/C16H26N4O2S/c1-12-6-3-4-9-20(12)15(22)14(21)13(17)7-5-11-23-16-18-8-10-19(16)2/h8,10,12-13H,3-7,9,11,17H2,1-2H3