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

Systemtic Name: N-butyl-N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-butyl-N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butyl-N,5-dimethyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butyl-N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-butyl-N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H32N5OS+ MolecularWeight: 390.56598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=C(C2=C(N=CN=C2S1)NCC[NH+]3CCCCC3)C

Isomeric SMILES

CCCCN(C)C(=O)C1=C(C2=C(N=CN=C2S1)NCC[NH+]3CCCCC3)C

InChI

InChI=1S/C20H31N5OS/c1-4-5-10-24(3)20(26)17-15(2)16-18(22-14-23-19(16)27-17)21-9-13-25-11-7-6-8-12-25/h14H,4-13H2,1-3H3,(H,21,22,23)/p+1