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

Systemtic Name: 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(4-methyl-1-piperidyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(4-methyl-1-piperidinyl)-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(4-methylpiperidino)-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium Formula: C21H27N4OS2+ MolecularWeight: 415.59528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C21H26N4OS2/c1-15-4-6-25(7-5-15)20-19-16(17-3-2-12-27-17)14-28-21(19)23-18(22-20)13-24-8-10-26-11-9-24/h2-3,12,14-15H,4-11,13H2,1H3/p+1