tert-butyl N-[2-[3-[[2,6-bis(fluoranyl)phenyl]methyl]-5-(2-fluorophenyl)-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-[[2,6-bis(fluoranyl)phenyl]methyl]-5-(2-fluorophenyl)-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[2-[3-[(2,6-difluorophenyl)methyl]-5-(2-fluorophenyl)-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]carbamate CAS Name: N-[2-[3-[(2,6-difluorophenyl)methyl]-5-(2-fluorophenyl)-4-methyl-2,6-dioxo-1-pyrimidinyl]-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-[(2,6-difluorophenyl)methyl]-5-(2-fluorophenyl)-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate Traditional Name: N-[2-[3-(2,6-difluorobenzyl)-5-(2-fluorophenyl)-2,6-diketo-4-methyl-pyrimidin-1-yl]-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C31H30F3N3O4 MolecularWeight: 565.58281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CC(C3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CC(C3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC=CC=C4F

InChI

InChI=1S/C31H30F3N3O4/c1-19-27(21-13-8-9-14-23(21)32)28(38)37(30(40)36(19)17-22-24(33)15-10-16-25(22)34)18-26(20-11-6-5-7-12-20)35-29(39)41-31(2,3)4/h5-16,26H,17-18H2,1-4H3,(H,35,39)