3-[2-chloranyl-4-fluoranyl-5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-1-(2-cyanoethyl)-1-methyl-urea

Systemtic Name: 3-[2-chloranyl-4-fluoranyl-5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-1-(2-cyanoethyl)-1-methyl-urea Openeye Name: 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-1-(2-cyanoethyl)-1-methyl-urea CAS Name: 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]phenyl]-1-(2-cyanoethyl)-1-methylurea IUPAC Name: 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-1-(2-cyanoethyl)-1-methylurea Traditional Name: 3-[2-chloro-5-[2,6-diketo-3-methyl-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluoro-phenyl]-1-(2-cyanoethyl)-1-methyl-urea Formula: C17H14ClF4N5O3 MolecularWeight: 447.771373

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)NC(=O)N(C)CCC#N)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)NC(=O)N(C)CCC#N)C(F)(F)F

InChI

InChI=1S/C17H14ClF4N5O3/c1-25(5-3-4-23)15(29)24-11-7-12(10(19)6-9(11)18)27-14(28)8-13(17(20,21)22)26(2)16(27)30/h6-8H,3,5H2,1-2H3,(H,24,29)