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6-(pyridin-2-ylmethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

6-(pyridin-2-ylmethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
SpectraBase Compound ID CDACWQAyfsE
InChI InChI=1S/C19H16F3N5OS/c20-19(21,22)12-4-3-6-14(8-12)27-16-15(17(28)25-18(27)29)10-26(11-24-16)9-13-5-1-2-7-23-13/h1-8,24H,9-11H2,(H,25,28,29)
InChIKey SDEMQFRFQKNZAD-UHFFFAOYSA-N
Mol Weight 419.43 g/mol
Molecular Formula C19H16F3N5OS
Exact Mass 419.102766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2BkQnMAAgy
Name 6-(pyridin-2-ylmethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
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Formula C19H16F3N5OS
InChI InChI=1S/C19H16F3N5OS/c20-19(21,22)12-4-3-6-14(8-12)27-16-15(17(28)25-18(27)29)10-26(11-24-16)9-13-5-1-2-7-23-13/h1-8,24H,9-11H2,(H,25,28,29)
InChIKey SDEMQFRFQKNZAD-UHFFFAOYSA-N
Molecular Weight 419.426 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)Cc1ncccc1)c1cc(ccc1)C(F)(F)F)=S
SPLASH splash10-0006-9210000000-98d981d53bdf179a7201
Source of Spectrum IY-2-5022-7
Synonyms Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(2-pyridinylmethyl)-2-thioxo-1-[3-(trifluoromethyl)phenyl]- 6-(2-pyridinylmethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 6-(pyridin-2-ylmethyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1658210