4-[bis(fluoranyl)methyl]-6-(1-ethyl-5-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(1-ethyl-5-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(1-ethyl-5-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(1-ethyl-5-methyl-4-pyrazolyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(difluoromethyl)-6-(1-ethyl-5-methyl-pyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C15H21F2N6+ MolecularWeight: 323.364246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F)C

InChI

InChI=1S/C15H20F2N6/c1-3-23-10(2)11(9-19-23)12-8-13(14(16)17)21-15(20-12)22-6-4-18-5-7-22/h8-9,14,18H,3-7H2,1-2H3/p+1