2-[3,5-bis(fluoranyl)pyridin-2-yl]-4-(2-chloranyl-4-fluoranyl-phenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-[3,5-bis(fluoranyl)pyridin-2-yl]-4-(2-chloranyl-4-fluoranyl-phenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-2-(3,5-difluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate IUPAC Name: 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-2-(3,5-difluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Formula: C17H10ClF3N3O2- MolecularWeight: 380.72841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(C(N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)[O-]

InChI

InChI=1S/C17H11ClF3N3O2/c1-7-13(17(25)26)14(10-3-2-8(19)4-11(10)18)24-16(23-7)15-12(21)5-9(20)6-22-15/h2-6,14H,1H3,(H,23,24)(H,25,26)/p-1