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

Systemtic Name: N-(2-hydroxyethyl)-5-methyl-N-(phenylmethyl)-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-hydroxyethyl)-5-methyl-N-(phenylmethyl)-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H32N5O2S+ MolecularWeight: 454.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)N(CCO)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)N(CCO)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2S/c1-18-20-22(25-10-13-28-11-6-3-7-12-28)26-17-27-23(20)32-21(18)24(31)29(14-15-30)16-19-8-4-2-5-9-19/h2,4-5,8-9,17,30H,3,6-7,10-16H2,1H3,(H,25,26,27)/p+1