2-(furan-2-yl)-4,5-dimethyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-(furan-2-yl)-4,5-dimethyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-(2-furyl)-4,5-dimethyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-(2-furanyl)-4,5-dimethyl-N-[3-(1-piperidin-1-iumyl)propyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-(furan-2-yl)-4,5-dimethyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-(2-furyl)-4,5-dimethyl-N-(3-piperidin-1-ium-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3=CC=CO3)C(=O)NCCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3=CC=CO3)C(=O)NCCC[NH+]4CCCCC4

InChI

InChI=1S/C21H26N4O2S/c1-14-17-15(2)23-19(16-8-6-13-27-16)24-21(17)28-18(14)20(26)22-9-7-12-25-10-4-3-5-11-25/h6,8,13H,3-5,7,9-12H2,1-2H3,(H,22,26)/p+1