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4-(4-Dimethylaminophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
SpectraBase Compound ID JA9Q331YaKS
InChI InChI=1S/C19H16F3N3OS/c1-25(2)13-8-10-14(11-9-13)27-18-15(19(20,21)22)17(26)23-16(24-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,24,26)
InChIKey YDXGJFZHOWLHFD-UHFFFAOYSA-N
Mol Weight 391.41 g/mol
Molecular Formula C19H16F3N3OS
Exact Mass 391.096618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKzMVyYRa90
Name 4-(4-Dimethylaminophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F3N3OS
InChI InChI=1S/C19H16F3N3OS/c1-25(2)13-8-10-14(11-9-13)27-18-15(19(20,21)22)17(26)23-16(24-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,24,26)
InChIKey YDXGJFZHOWLHFD-UHFFFAOYSA-N
Molecular Weight 391.412 g/mol
SMILES Oc1nc(nc(c1C(F)(F)F)Sc1ccc(cc1)N(C)C)-c1ccccc1
SPLASH splash10-0udi-3911000000-ed2d2e3b3b38b3a8c87b
Synonyms Pyrimidin-4-ol, 6-(4-dimethylaminophenylsulfanyl)-2-phenyl-5-trifluoromethyl- 4-[4-(dimethylamino)phenyl]sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
Wiley ID 1441294