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

Systemtic Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-N-(1-phenylethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-14-18-20(27-12-10-26(4)11-13-27)24-16(3)25-22(18)29-19(14)21(28)23-15(2)17-8-6-5-7-9-17/h5-9,15H,10-13H2,1-4H3,(H,23,28)/p+1