2-[4-(5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[5-phenyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5OS/c29-14-13-27-9-11-28(12-10-27)22-20-19(17-5-2-1-3-6-17)16-30-23(20)26-21(25-22)18-7-4-8-24-15-18/h1-8,15-16,29H,9-14H2/p+1