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

Systemtic Name: 5-(4-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-methoxyphenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C22H22N5OS+ MolecularWeight: 404.50798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H21N5OS/c1-28-17-7-5-16(6-8-17)18-14-29-22-20(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