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

Systemtic Name: N-butyl-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-butyl-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butyl-2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butyl-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-butyl-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H28N5OS+ MolecularWeight: 362.51282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5OS/c1-5-6-7-19-17(24)15-12(2)14-16(20-13(3)21-18(14)25-15)23-10-8-22(4)9-11-23/h5-11H2,1-4H3,(H,19,24)/p+1