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

Systemtic Name: 5-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-methylphenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C22H22N5S+ MolecularWeight: 388.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H21N5S/c1-16-5-7-17(8-6-16)18-14-28-22-20(18)21(24-15-25-22)27-12-10-26(11-13-27)19-4-2-3-9-23-19/h2-9,14-15H,10-13H2,1H3/p+1