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

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(furan-2-yl)-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(difluoromethyl)-6-(2-furyl)-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(difluoromethyl)-6-(2-furanyl)-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(difluoromethyl)-6-(furan-2-yl)-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(difluoromethyl)-6-(2-furyl)-2-piperazin-4-ium-1-yl-pyrimidine Formula: C13H15F2N4O+ MolecularWeight: 281.281206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C(F)F)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C(F)F)C3=CC=CO3

InChI

InChI=1S/C13H14F2N4O/c14-12(15)10-8-9(11-2-1-7-20-11)17-13(18-10)19-5-3-16-4-6-19/h1-2,7-8,12,16H,3-6H2/p+1