5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-fluorophenyl)-6-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C22H21FN5S+ MolecularWeight: 406.499043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H20FN5S/c1-15-19(16-5-7-17(23)8-6-16)20-21(25-14-26-22(20)29-15)28-12-10-27(11-13-28)18-4-2-3-9-24-18/h2-9,14H,10-13H2,1H3/p+1