2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C21H26N5O2S2+ MolecularWeight: 444.59344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CC[NH+](CC4)CC(=O)N5CCOCC5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CC[NH+](CC4)CC(=O)N5CCOCC5

InChI

InChI=1S/C21H25N5O2S2/c1-15-22-20(19-16(14-30-21(19)23-15)17-3-2-12-29-17)26-6-4-24(5-7-26)13-18(27)25-8-10-28-11-9-25/h2-3,12,14H,4-11,13H2,1H3/p+1