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

Systemtic Name: methyl 2-[[3,5-bis(fluoranyl)pyridin-2-yl]methyl]-4-(2-chloranyl-4-fluoranyl-phenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(2-chloro-4-fluoro-phenyl)-2-[(3,5-difluoro-2-pyridyl)methyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-2-[(3,5-difluoro-2-pyridinyl)methyl]-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-4-fluorophenyl)-2-[(3,5-difluoropyridin-2-yl)methyl]-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-2-[(3,5-difluoro-2-pyridyl)methyl]-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H13ClF3N3O2 MolecularWeight: 395.76293

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=NC1C2=C(C=C(C=C2)F)Cl)CC3=C(C=C(C=N3)F)F

Isomeric SMILES

COC(=O)C1=CNC(=NC1C2=C(C=C(C=C2)F)Cl)CC3=C(C=C(C=N3)F)F

InChI

InChI=1S/C18H13ClF3N3O2/c1-27-18(26)12-8-24-16(6-15-14(22)5-10(21)7-23-15)25-17(12)11-3-2-9(20)4-13(11)19/h2-5,7-8,17H,6H2,1H3,(H,24,25)