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3,8-Di(4-chlorophenyl)-7-cyano-3,4-dihydro-2H-pyrimido[2,1-b]-1,3,5-thiadiazin-6-one
SpectraBase Compound ID CW0AytiTTJF
InChI InChI=1S/C19H12Cl2N4OS/c20-13-3-1-12(2-4-13)17-16(9-22)18(26)25-10-24(11-27-19(25)23-17)15-7-5-14(21)6-8-15/h1-8H,10-11H2
InChIKey RAKXPMCEPDVSJS-UHFFFAOYSA-N
Mol Weight 415.3 g/mol
Molecular Formula C19H12Cl2N4OS
Exact Mass 414.010888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oAk57SeUDS
Name 3,8-Di(4-chlorophenyl)-7-cyano-3,4-dihydro-2H-pyrimido[2,1-b]-1,3,5-thiadiazin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12Cl2N4OS
InChI InChI=1S/C19H12Cl2N4OS/c20-13-3-1-12(2-4-13)17-16(9-22)18(26)25-10-24(11-27-19(25)23-17)15-7-5-14(21)6-8-15/h1-8H,10-11H2
InChIKey RAKXPMCEPDVSJS-UHFFFAOYSA-N
Molecular Weight 415.298 g/mol
SMILES C1=2N(C(C(=C(N2)c2ccc(cc2)Cl)C#N)=O)CN(CS1)c1ccc(cc1)Cl
SPLASH splash10-01pc-1921300000-716adf2a601b9bf985e7
Source of Spectrum Y-47-1300-7f
Synonyms 3,8-bis(4-chlorophenyl)-6-oxo-2,4-dihydropyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile 3,8-bis(4-chlorophenyl)-6-oxidanylidene-2,4-dihydropyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile
Wiley ID 1667428