AEY
Summary
| Name: | 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
| Formula: | C11 H10 N6 O |
| Formal charge: | 0 |
| Formula weight: | 242.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
| OpenEye OEToolkits | 2.0.6 | 7-phenylmethoxy-1~{H}-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccccc1COc2nc(N)nc3c2nnn3 |
| InChI | InChI | 1.03 | InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | ZHTBAYPUCDCQPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(OCc2ccccc2)c3[nH]nnc3n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(OCc2ccccc2)c3[nH]nnc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3 |
