5,6-dimethyl-N-(1-propylpiperidin-1-ium-4-yl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-(1-propylpiperidin-1-ium-4-yl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-(1-propylpiperidin-1-ium-4-yl)-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-(1-propyl-4-piperidin-1-iumyl)-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-(1-propylpiperidin-1-ium-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-(1-propylpiperidin-1-ium-4-yl)amine Formula: C21H28N5S+ MolecularWeight: 382.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C3C(=C(SC3=NC(=N2)C4=CN=CC=C4)C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C3C(=C(SC3=NC(=N2)C4=CN=CC=C4)C)C

InChI

InChI=1S/C21H27N5S/c1-4-10-26-11-7-17(8-12-26)23-20-18-14(2)15(3)27-21(18)25-19(24-20)16-6-5-9-22-13-16/h5-6,9,13,17H,4,7-8,10-12H2,1-3H3,(H,23,24,25)/p+1