5-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C29H28N5S+ MolecularWeight: 478.63112

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CCC1NC2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C29H27N5S/c1-3-9-21(10-4-1)19-34-17-14-23(15-18-34)31-28-26-24(22-11-5-2-6-12-22)20-35-29(26)33-27(32-28)25-13-7-8-16-30-25/h1-13,16,20,23H,14-15,17-19H2,(H,31,32,33)/p+1