A1IL3
Summary
| Name: | 5-(2-propoxyphenyl)-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Formula: | C13 H13 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 271.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(2-propoxyphenyl)-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19) |
| InChIKey | InChI | 1.06 | REZGGXNDEMKIQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ccccc1C2=NC(=O)c3nn[nH]c3N2 |
| SMILES | CACTVS | 3.385 | CCCOc1ccccc1C2=NC(=O)c3nn[nH]c3N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1ccccc1C2=NC(=O)c3c([nH]nn3)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1ccccc1C2=NC(=O)c3c([nH]nn3)N2 |
