Dataset

process

Chemical Info

InChI	InChI=1S/C17H21BrN6/c1-12(2)24(13(3)4)22-21-17-15(9-19)10-20-23(17)11-14-5-7-16(18)8-6-14/h5-8,10,12-13H,11H2,1-4H3/b22-21+
SMILES	N#Cc1cnn(c1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)Br
InChI Key	HUNPOMLAEFCWSA-QURGRASLSA-N
Molecular Formula	C17H21BrN6
Exact Mass	389.293 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HUNPOMLAEFCWSA-QURGRASLSA-N/BFO0000015
License URL
Source	https://www.chemotion-repository.net/inchikey/HUNPOMLAEFCWSA-QURGRASLSA-N/BFO0000015
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:44:06.001980
MetadataModified	2024-09-07T20:01:00.199440
MetadataPublished	2021-07-11

Field	Value
Measurement Technique	process
Measurement Variables

Data-Source Molecule ID	Data-Source
155928542	PubChem
The data in this table is sourced from UniChem at EBI.