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

Systemtic Name: N-[2-(3-methoxyphenyl)ethyl]-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)ethyl]-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[2-(3-methoxyphenyl)ethyl]-5-methyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)ethyl]-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)NCCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)NCCC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H31N5O2S/c1-17-20-22(25-11-14-29-12-4-3-5-13-29)27-16-28-24(20)32-21(17)23(30)26-10-9-18-7-6-8-19(15-18)31-2/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,26,30)(H,25,27,28)/p+1