2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-11-14-16(20-12(2)21-17(14)26-15(11)18(24)25)23-9-7-22(8-10-23)13-5-3-4-6-19-13/h3-6H,7-10H2,1-2H3,(H,24,25)