4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-N-(4-fluorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-N-(4-fluorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-N-(4-fluorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-N-(4-fluorophenyl)-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-[4-(4-bromophenyl)-4-hydroxy-piperidino]-N-(4-fluorophenyl)-2-(methylthio)pyrimidine-5-carboxamide Formula: C23H22BrFN4O2S MolecularWeight: 517.413783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CSC1=NC=C(C(=N1)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H22BrFN4O2S/c1-32-22-26-14-19(21(30)27-18-8-6-17(25)7-9-18)20(28-22)29-12-10-23(31,11-13-29)15-2-4-16(24)5-3-15/h2-9,14,31H,10-13H2,1H3,(H,27,30)