Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C17H21BrN6/c1-12(2)24(13(3)4)22-20-17-15(9-19)11-23(21-17)10-14-5-7-16(18)8-6-14/h5-8,11-13H,10H2,1-4H3/b22-20+
SMILES	N#Cc1cn(nc1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)Br
InChI Key	JVCZUZVUVDDSML-LSDHQDQOSA-N
Molecular Formula	C17H21BrN6
Exact Mass	389.293 g/mol

Data and Resources

• X-ray diffraction (XRD)HTML
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• x-ray-diffraction

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/JVCZUZVUVDDSML-LSDHQDQOSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/JVCZUZVUVDDSML-LSDHQDQOSA-N/CHMO0000156
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:43:45.879629
MetadataModified	2024-09-07T20:00:36.253484
MetadataPublished	2021-07-11

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables