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3-Bromo-1,2,3,4,7,8,9,10-octahydro-11H,13H-benzo[4',5']thieno[3',2':4,5]pyrimidino[1,2-a]azepine-4,13-dione
SpectraBase Compound ID Hj67xIM2Jr7
InChI InChI=1S/C15H15BrN2O2S/c16-9-6-5-8-11-14(21-13(8)12(9)19)17-10-4-2-1-3-7-18(10)15(11)20/h9H,1-7H2
InChIKey IVCYKDGSQAGJHW-UHFFFAOYSA-N
Mol Weight 367.26 g/mol
Molecular Formula C15H15BrN2O2S
Exact Mass 366.003762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzJB6llCO47
Name 3-Bromo-1,2,3,4,7,8,9,10-octahydro-11H,13H-benzo[4',5']thieno[3',2':4,5]pyrimidino[1,2-a]azepine-4,13-dione
CAS Registry Number 141581-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15BrN2O2S
InChI InChI=1S/C15H15BrN2O2S/c16-9-6-5-8-11-14(21-13(8)12(9)19)17-10-4-2-1-3-7-18(10)15(11)20/h9H,1-7H2
InChIKey IVCYKDGSQAGJHW-UHFFFAOYSA-N
Molecular Weight 367.261 g/mol
SMILES C1(CCc2c(C1=O)sc1c2C(N2C(=N1)CCCCC2)=O)Br
SPLASH splash10-052o-9210000000-b3e0843e5e4332a1ae13
Synonyms 3-Bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
Wiley ID 1470254