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4-pyrimidinol, 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-2-oxoethyl]thio]-
SpectraBase Compound ID BehA8ciWl0q
InChI InChI=1S/C27H22ClN3O2S2/c28-20-11-13-22(14-12-20)34-16-21-15-25(32)30-27(29-21)35-17-26(33)31-23-7-3-1-5-18(23)9-10-19-6-2-4-8-24(19)31/h1-8,11-15H,9-10,16-17H2,(H,29,30,32)
InChIKey KSJBTVLLXPIOAA-UHFFFAOYSA-N
Mol Weight 520.07 g/mol
Molecular Formula C27H22ClN3O2S2
Exact Mass 519.084197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0BYYFMCqUk
Name 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22ClN3O2S2
InChI InChI=1S/C27H22ClN3O2S2/c28-20-11-13-22(14-12-20)34-16-21-15-25(32)30-27(29-21)35-17-26(33)31-23-7-3-1-5-18(23)9-10-19-6-2-4-8-24(19)31/h1-8,11-15H,9-10,16-17H2,(H,29,30,32)
InChIKey KSJBTVLLXPIOAA-UHFFFAOYSA-N
Molecular Weight 520.065 g/mol
SMILES Oc1nc(SCC(N2c3c(CCc4c2cccc4)cccc3)=O)nc(c1)CSc1ccc(cc1)Cl
SPLASH splash10-0005-7910000000-82c47edae6c6a68e294d
Synonyms 6-[(4-chlorophenyl)sulfanylmethyl]-2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-1H-pyrimidin-4-one
Wiley ID 1464084