4-[bis(fluoranyl)methyl]-6-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-[bis(fluoranyl)methyl]-6-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)pyrimidine-5-carbonitrile Openeye Name: 4-(4-chloro-2-fluoro-5-methoxy-phenyl)-6-(difluoromethyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-chloro-2-fluoro-5-methoxyphenyl)-6-(difluoromethyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chloro-2-fluoro-5-methoxyphenyl)-6-(difluoromethyl)pyrimidine-5-carbonitrile Traditional Name: 4-(4-chloro-2-fluoro-5-methoxy-phenyl)-6-(difluoromethyl)pyrimidine-5-carbonitrile Formula: C13H7ClF3N3O MolecularWeight: 313.66239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=C(C(=NC=N2)C(F)F)C#N)F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=C(C(=NC=N2)C(F)F)C#N)F)Cl

InChI

InChI=1S/C13H7ClF3N3O/c1-21-10-2-6(9(15)3-8(10)14)11-7(4-18)12(13(16)17)20-5-19-11/h2-3,5,13H,1H3