Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C19H18N4O2/c1-19(2,3)16-12(20-10-21-16)9-13-18(25)23-14-7-5-4-6-11(14)8-15(23)17(24)22-13/h4-10H,1-3H3,(H,20,21)(H,22,24)/b13-9-
SMILES O=c1[nH]/c(=C\c2nc[nH]c2C(C)(C)C)/c(=O)n2c1cc1c2cccc1
InChI Key HEBNVDMSJJEXNA-LCYFTJDESA-N
Molecular Formula C19H18N4O2
Exact Mass 334.372 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEBNVDMSJJEXNA-LCYFTJDESA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/HEBNVDMSJJEXNA-LCYFTJDESA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-19
Related Molecule
  • (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]pyrazino[1,2-a]indole-1,4-dione
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889742 PubChem
    The data in this table is sourced from UniChem at EBI.