2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4)C

InChI

InChI=1S/C22H32N4O2S/c1-16-17(2)29-20-19(16)21(28)25(15-24-20)13-18(27)23-14-22(9-5-3-6-10-22)26-11-7-4-8-12-26/h15H,3-14H2,1-2H3,(H,23,27)/p+1