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

Systemtic Name: N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[5-phenyl-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C27H31N6OS+ MolecularWeight: 487.63964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6OS/c1-19(2)16-29-23(34)17-32-12-14-33(15-13-32)26-24-21(20-8-4-3-5-9-20)18-35-27(24)31-25(30-26)22-10-6-7-11-28-22/h3-11,18-19H,12-17H2,1-2H3,(H,29,34)/p+1