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

Systemtic Name: 5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyridin-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 5-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(2-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine Traditional Name: 5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)-2-(2-pyridyl)thieno[2,3-d]pyrimidine Formula: C26H23N6S+ MolecularWeight: 451.56602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C4C(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C4C(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C26H22N6S/c1-2-8-19(9-3-1)20-18-33-26-23(20)25(29-24(30-26)21-10-4-6-12-27-21)32-16-14-31(15-17-32)22-11-5-7-13-28-22/h1-13,18H,14-17H2/p+1