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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-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)N(C=N2)CC(=O)NCCC[NH+]3CCCCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c1-13-14(2)25-17-16(13)18(24)22(12-20-17)11-15(23)19-7-6-10-21-8-4-3-5-9-21/h12H,3-11H2,1-2H3,(H,19,23)/p+1