5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 5-(4-fluorophenyl)-6-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C19H25FN6S+2 MolecularWeight: 388.505403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCC2=CN3C(=NC(=N3)SC)N=C2C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCC2=CN3C(=NC(=N3)SC)N=C2C4=CC=C(C=C4)F

InChI

InChI=1S/C19H23FN6S/c1-24-9-11-25(12-10-24)8-7-15-13-26-18(22-19(23-26)27-2)21-17(15)14-3-5-16(20)6-4-14/h3-6,13H,7-12H2,1-2H3/p+2