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

Systemtic Name: 5-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-fluorophenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C21H19FN5S+ MolecularWeight: 392.472463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN5S/c22-16-6-4-15(5-7-16)17-13-28-21-19(17)20(24-14-25-21)27-11-9-26(10-12-27)18-3-1-2-8-23-18/h1-8,13-14H,9-12H2/p+1