5-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-chlorophenyl)-N-(1-isopropylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-chlorophenyl)-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-(1-isopropylpiperidin-1-ium-4-yl)amine Formula: C20H24ClN4S+ MolecularWeight: 387.94936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4S/c1-13(2)25-9-7-16(8-10-25)24-19-18-17(11-26-20(18)23-12-22-19)14-3-5-15(21)6-4-14/h3-6,11-13,16H,7-10H2,1-2H3,(H,22,23,24)/p+1