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1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine
SpectraBase Compound ID FxtoqQqk7kE
InChI InChI=1S/C15H16N4S/c1-10-9-13(20-3)17-15-14(16-10)11(2)18-19(15)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKey YXFHJPGZFAGVJF-UHFFFAOYSA-N
Mol Weight 284.38 g/mol
Molecular Formula C15H16N4S
Exact Mass 284.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5t0IRbPTfpK
Name 1-Phenyl-3,5-dimethyl-7-methylthio-6H-pyrazolo(3,4-b)(1,4)diazepine
CAS Registry Number 64891-60-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4S
InChI InChI=1S/C15H16N4S/c1-10-9-13(20-3)17-15-14(16-10)11(2)18-19(15)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKey YXFHJPGZFAGVJF-UHFFFAOYSA-N
Molecular Weight 284.381 g/mol
SMILES c12c(c(C)n[n]2-c2ccccc2)N=C(C)CC(=N1)SC
SPLASH splash10-0fc4-9230000000-16fdcc5d50597b1d541a
Source of Spectrum O-12-144-1
Synonyms 3,5-Dimethyl-7-(methylsulfanyl)-1-phenyl-1,6-dihydropyrazolo[3,4-b][1,4]diazepine 3,5-Dimethyl-7-(methylthio)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine 3,5-Dimethyl-7-methylsulfanyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine
Wiley ID 1287746