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

Systemtic Name: 2-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C23H27N5OS/c1-17-4-6-18(7-5-17)19-15-30-23-21(19)22(24-16-25-23)28-12-10-26(11-13-28)14-20(29)27-8-2-3-9-27/h4-7,15-16H,2-3,8-14H2,1H3/p+1