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

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-4,5-dimethyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-4,5-dimethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H31N6OS+ MolecularWeight: 439.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H30N6OS/c1-14-18-15(2)25-22(23(3,4)5)27-21(18)31-19(14)20(30)26-16-7-8-17(24-13-16)29-11-9-28(6)10-12-29/h7-8,13H,9-12H2,1-6H3,(H,26,30)/p+1