N-(2-methoxyphenyl)-5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-methoxyphenyl)-5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-methoxyphenyl)-5-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-5-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-methoxyphenyl)-5-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H25N6O2S+ MolecularWeight: 461.5593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)NC5=CC=CC=C5OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)NC5=CC=CC=C5OC

InChI

InChI=1S/C24H24N6O2S/c1-16-20-22(30-13-11-29(12-14-30)19-9-5-6-10-25-19)26-15-27-24(20)33-21(16)23(31)28-17-7-3-4-8-18(17)32-2/h3-10,15H,11-14H2,1-2H3,(H,28,31)/p+1