2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 2-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)-5-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C20H20N5S2+ MolecularWeight: 394.5363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C20H19N5S2/c1-14-22-19(18-15(13-27-20(18)23-14)16-5-4-12-26-16)25-10-8-24(9-11-25)17-6-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3/p+1