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

Systemtic Name: N-(3-ethoxypropyl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-ethoxypropyl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-ethoxypropyl)-5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-ethoxypropyl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O2S/c1-4-25-11-5-6-19-17(24)15-13(2)14-16(20-12-21-18(14)26-15)23-9-7-22(3)8-10-23/h12H,4-11H2,1-3H3,(H,19,24)/p+1