2-ethyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-ethyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-ethyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-ethyl-4,5-dimethyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-ethyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-ethyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H27N6OS+ MolecularWeight: 411.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C)C

InChI

InChI=1S/C21H26N6OS/c1-5-16-23-14(3)18-13(2)19(29-21(18)25-16)20(28)24-15-6-7-17(22-12-15)27-10-8-26(4)9-11-27/h6-7,12H,5,8-11H2,1-4H3,(H,24,28)/p+1