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

Systemtic Name: N-butyl-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-butyl-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butyl-5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butyl-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-butyl-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H25N5OS/c1-4-5-6-18-16(23)14-12(2)13-15(19-11-20-17(13)24-14)22-9-7-21(3)8-10-22/h11H,4-10H2,1-3H3,(H,18,23)/p+1