Dataset
X-ray diffraction (XRD)
Chemical Info
InChI | InChI=1S/C21H25N5O2/c1-21(2,3)18-15(22-12-23-18)11-17-20(28)24-16(19(27)25-17)10-13-6-8-14(9-7-13)26(4)5/h6-12H,1-5H3,(H,22,23)(H,24,28)(H,25,27)/b16-10-,17-11- |
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SMILES | CN(c1ccc(cc1)/C=c/1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)/[nH]c1=O)C |
InChI Key | PIABYVZMMACTIP-APGQMXJTSA-N |
Molecular Formula | C21H25N5O2 |
Exact Mass | 379.455 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/PIABYVZMMACTIP-APGQMXJTSA-N/CHMO0000156 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PIABYVZMMACTIP-APGQMXJTSA-N/CHMO0000156 |
Version | |
Author | Martin Nieger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T07:45:41.122521 |
MetadataModified | 2024-09-07T23:33:27.543282 |
MetadataPublished | 2022-09-19 |
Field | Value |
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Measurement Technique | X-ray diffraction |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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164889739 | PubChem |
The data in this table is sourced from UniChem at EBI. |