2-[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]-N-(2-diethylaminoethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide

Systemtic Name: 2-[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]-N-(2-diethylaminoethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide Openeye Name: 2-[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]-N-(2-diethylaminoethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide CAS Name: 2-[5-bromo-2-[(4-fluorophenyl)methylthio]-4-oxo-1-pyrimidinyl]-N-(2-diethylaminoethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide IUPAC Name: 2-[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]-N-(2-diethylaminoethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide Traditional Name: 2-[5-bromo-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]-N-(2-diethylaminoethyl)-N-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide Formula: C33H33BrF4N4O2S MolecularWeight: 705.603333

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C=C(C(=O)N=C3SCC4=CC=C(C=C4)F)Br

Isomeric SMILES

CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C=C(C(=O)N=C3SCC4=CC=C(C=C4)F)Br

InChI

InChI=1S/C33H33BrF4N4O2S/c1-3-40(4-2)17-18-41(19-23-5-9-25(10-6-23)26-11-13-27(14-12-26)33(36,37)38)30(43)21-42-20-29(34)31(44)39-32(42)45-22-24-7-15-28(35)16-8-24/h5-16,20H,3-4,17-19,21-22H2,1-2H3