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

Systemtic Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-quinolin-3-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(3-quinolyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-N-(3-quinolinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(3-quinolyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H25N6OS+ MolecularWeight: 433.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)C)C)C(=O)NC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C23H24N6OS/c1-14-19-21(29-10-8-28(3)9-11-29)25-15(2)26-23(19)31-20(14)22(30)27-17-12-16-6-4-5-7-18(16)24-13-17/h4-7,12-13H,8-11H2,1-3H3,(H,27,30)/p+1