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

Systemtic Name: N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-(2-thienylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N,5-dimethyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-N-(thiophen-2-ylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N,5-dimethyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-(2-thenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H28N5OS2+ MolecularWeight: 430.60992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)N(C)CC4=CC=CS4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)N(C)CC4=CC=CS4

InChI

InChI=1S/C21H27N5OS2/c1-15-17-19(22-8-11-26-9-4-3-5-10-26)23-14-24-20(17)29-18(15)21(27)25(2)13-16-7-6-12-28-16/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,22,23,24)/p+1