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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6OS/c1-3-32(4-2)23(34)18-31-14-16-33(17-15-31)26-24-21(20-10-6-5-7-11-20)19-35-27(24)30-25(29-26)22-12-8-9-13-28-22/h5-13,19H,3-4,14-18H2,1-2H3/p+1