Y9A
Summary
| Name: | ~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine |
| Formula: | C16 H17 N5 O |
| Formal charge: | 0 |
| Formula weight: | 295.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N5O/c1-12-5-7-13(8-6-12)11-22-15-4-2-3-14(9-15)10-17-16-18-20-21-19-16/h2-9H,10-11H2,1H3,(H2,17,18,19,20,21) |
| InChIKey | InChI | 1.03 | HREJSYOOKBBZAB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(COc2cccc(CNc3[nH]nnn3)c2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(COc2cccc(CNc3[nH]nnn3)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3 |
