4-[bis(fluoranyl)methyl]-6-(1,3-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(1,3-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(1,3-dimethyl-4-pyrazolyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C14H19F2N6+ MolecularWeight: 309.337666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F)C

Isomeric SMILES

CC1=NN(C=C1C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)F)C

InChI

InChI=1S/C14H18F2N6/c1-9-10(8-21(2)20-9)11-7-12(13(15)16)19-14(18-11)22-5-3-17-4-6-22/h7-8,13,17H,3-6H2,1-2H3/p+1