5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-(4-fluorophenyl)-6-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-(4-fluorophenyl)-6-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C20H23FN6+2 MolecularWeight: 366.435223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN6/c1-25-8-10-26(11-9-25)7-6-16-14-27-20(17(12-22)13-23-27)24-19(16)15-2-4-18(21)5-3-15/h2-5,13-14H,6-11H2,1H3/p+2