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

Systemtic Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(4-methyl-1-piperazin-4-iumyl)-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C20H27N5OS2+2 MolecularWeight: 417.59128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C20H25N5OS2/c1-23-4-6-25(7-5-23)19-18-15(16-3-2-12-27-16)14-28-20(18)22-17(21-19)13-24-8-10-26-11-9-24/h2-3,12,14H,4-11,13H2,1H3/p+2