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

Systemtic Name: 5-(4-fluorophenyl)-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-fluorophenyl)-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-fluorophenyl)-N-(1-propyl-4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-fluorophenyl)-N-(1-propylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]-(1-propylpiperidin-1-ium-4-yl)amine Formula: C20H24FN4S+ MolecularWeight: 371.494763

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN4S/c1-2-9-25-10-7-16(8-11-25)24-19-18-17(12-26-20(18)23-13-22-19)14-3-5-15(21)6-4-14/h3-6,12-13,16H,2,7-11H2,1H3,(H,22,23,24)/p+1