![Chemical structure of 5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine, CAS 31887-92-0](https://api.angenesci.com/structure/560/31887-92-0.png)
| CAS Number | 31887-92-0 |
| Catalog Number | AG007I5W(AGN-PC-0R76SC) |
| Chemical Name | 5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine |
| IUPAC Name | 6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine |
| InChI | InChI=1S/C8H11N3/c1-3-9-4-2-8-7(1)5-10-6-11-8/h5-6,9H,1-4H2 |
| InChI Key | GSBPAKVXTRJZPG-UHFFFAOYSA-N |
| MDL Number | MFCD08703287 |
| Molecular Formula | C8H11N3 |
| Molecular Weight | 149.1930 |
| SMILES | C1NCCC2=C(C=NC=N2)C1 |
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