Dataset
![molecular Image]()
Ametryn
Chemical Info
| InChI | InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) |
|---|---|
| SMILES | CCNC1=NC(NC(C)C)=NC(SC)=N1 |
| InChI Key | RQVYBGPQFYCBGX-UHFFFAOYSA-N |
| Molecular Formula | C9H17N5S |
| Exact Mass | 227.120 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF404804 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:49:59.154436 |
| MetadataModified | 2025-02-09T19:46:40.168854 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 22472 | ChEBI |
| CHEMBL1235774 | ChEMBL |
| RYN | PDBe |
| C18700 | KEGG Ligand |
| J3.651J | Nikkaji |
| MCULE-2605690729 | Mcule |
| HMDB0248288 | Human Metabolome Database |
| WORQAY | CCDC |
| ZINC000000085378 | ZINC |
| DTXSID1023869 | EPA CompTox Dashboard |
| HY-B0866 | MedChemExpress |
| 20208230 | NMRShiftDB |
| 19683 | Brenda |
| CB2684343 | ChemicalBook |
| 13263 | PubChem |
| 1SPQ95183Y | FDA SRS |
| 15043801 | PubChem: Thomson Pharma |
| SCHEMBL65196 | SureChEMBL |
| 834-12-8 | ACToR |
| 509516 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |