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

Systemtic Name: 2,5-dimethyl-N-(4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,5-dimethyl-N-(4-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2,5-dimethyl-N-(4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C21H25N5OS/c1-13-5-7-16(8-6-13)24-20(27)18-14(2)17-19(22-15(3)23-21(17)28-18)26-11-9-25(4)10-12-26/h5-8H,9-12H2,1-4H3,(H,24,27)/p+1