2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide

Systemtic Name: 2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide Openeye Name: 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]-N-(1-methyl-4-piperidyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide CAS Name: 2-[2-[(2,3-difluorophenyl)methylthio]-5-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-1-pyrimidinyl]-N-(1-methyl-4-piperidinyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide IUPAC Name: 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide Traditional Name: 2-[2-[(2,3-difluorobenzyl)thio]-4-keto-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-1-yl]-N-(1-methyl-4-piperidyl)-N-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide Formula: C38H37F5N6O2S MolecularWeight: 736.796396

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C=C(C(=O)N=C4SCC5=C(C(=CC=C5)F)F)CC6=CN(N=C6)C

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C=C(C(=O)N=C4SCC5=C(C(=CC=C5)F)F)CC6=CN(N=C6)C

InChI

InChI=1S/C38H37F5N6O2S/c1-46-16-14-32(15-17-46)49(21-25-6-8-27(9-7-25)28-10-12-31(13-11-28)38(41,42)43)34(50)23-48-22-30(18-26-19-44-47(2)20-26)36(51)45-37(48)52-24-29-4-3-5-33(39)35(29)40/h3-13,19-20,22,32H,14-18,21,23-24H2,1-2H3