N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine CAS Name: N-[4-(difluoromethylthio)phenyl]-6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinamine IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine Traditional Name: [4-(difluoromethylthio)phenyl]-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amine Formula: C15H12F2N6O2S MolecularWeight: 378.356586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C15H12F2N6O2S/c1-9-6-13(20-10-2-4-12(5-3-10)26-14(16)17)21-15(19-9)22-8-11(7-18-22)23(24)25/h2-8,14H,1H3,(H,19,20,21)