4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-5-phenyl-2-(1-piperidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C23H31N5S+2 MolecularWeight: 409.59074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H29N5S/c1-26-12-14-28(15-13-26)22-21-19(18-8-4-2-5-9-18)17-29-23(21)25-20(24-22)16-27-10-6-3-7-11-27/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/p+2