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

Systemtic Name: 5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-[2-(2-thienyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-N-(2-thiophen-2-ylethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-[2-(2-thienyl)ethyl]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)NCCC4=CC=CS4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H27N5OS2/c1-15-17-19(22-9-12-26-10-3-2-4-11-26)24-14-25-21(17)29-18(15)20(27)23-8-7-16-6-5-13-28-16/h5-6,13-14H,2-4,7-12H2,1H3,(H,23,27)(H,22,24,25)/p+1