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

Systemtic Name: 2-[4-(5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[5-phenyl-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C27H29N6OS+ MolecularWeight: 485.62376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N6OS/c34-23(32-12-6-7-13-32)18-31-14-16-33(17-15-31)26-24-21(20-8-2-1-3-9-20)19-35-27(24)30-25(29-26)22-10-4-5-11-28-22/h1-5,8-11,19H,6-7,12-18H2/p+1