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2-(Isopropylamino)-1-(4-chlorophenyl)benzo[4,5]thieno[3,2-d][1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
SpectraBase Compound ID 5DF76Sj5saL
InChI InChI=1S/C20H16ClN5OS/c1-11(2)22-19-24-26-18(27)17-16(14-5-3-4-6-15(14)28-17)23-20(26)25(19)13-9-7-12(21)8-10-13/h3-11H,1-2H3,(H,22,24)
InChIKey AGMQKTXVDRCAIO-UHFFFAOYSA-N
Mol Weight 409.9 g/mol
Molecular Formula C20H16ClN5OS
Exact Mass 409.076409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NrURkRk4AA
Name 2-(Isopropylamino)-1-(4-chlorophenyl)benzo[4,5]thieno[3,2-d][1,2,4]triazolo[1,5-a]pyrimidin-5(1H)-one
Alternate Name(s) 3-(4-Chloro-phenyl)-2-isopropylamino-3H-9-thia-1,3,4,10a-tetraaza-cyclopenta[b]fluoren-10-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN5OS
InChI InChI=1S/C20H16ClN5OS/c1-11(2)22-19-24-26-18(27)17-16(14-5-3-4-6-15(14)28-17)23-20(26)25(19)13-9-7-12(21)8-10-13/h3-11H,1-2H3,(H,22,24)
InChIKey AGMQKTXVDRCAIO-UHFFFAOYSA-N
Molecular Weight 409.895 g/mol
SMILES N(C1=NN2C(N1c1ccc(cc1)Cl)=Nc1c(C2=O)sc2ccccc12)C(C)C
SPLASH splash10-004j-6960700000-b9923ca230b45bd33549
Source of Spectrum Y-46-907-7i
Wiley ID 1666841