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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC(=O)NCCC[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC(=O)NCCC[NH+]3CCCCC3)C

InChI

InChI=1S/C18H26N4O2S/c1-12-13(2)25-18-16(12)17(24)20-14(21-18)11-15(23)19-7-6-10-22-8-4-3-5-9-22/h3-11H2,1-2H3,(H,19,23)(H,20,21,24)/p+1