2-methyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-1-ium-4-amine

Systemtic Name: 2-methyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-1-ium-4-amine Openeye Name: 2-methyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-1-ium-4-amine CAS Name: 2-methyl-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-5-phenyl-4-thieno[2,3-d]pyrimidin-1-iumamine IUPAC Name: 2-methyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-1-ium-4-amine Traditional Name: (2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-1-ium-4-yl)-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]amine Formula: C24H28N6S+2 MolecularWeight: 432.58432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=[NH+]1)C3=CC=CC=C3)NCC4=CN=C(C=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=NC(=C2C(=CSC2=[NH+]1)C3=CC=CC=C3)NCC4=CN=C(C=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C24H26N6S/c1-17-27-23(22-20(16-31-24(22)28-17)19-6-4-3-5-7-19)26-15-18-8-9-21(25-14-18)30-12-10-29(2)11-13-30/h3-9,14,16H,10-13,15H2,1-2H3,(H,26,27,28)/p+2