X66
Summary
| Name: | 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol |
| Formula: | C9 H9 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 219.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol |
| OpenEye OEToolkits | 1.7.0 | 2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]benzene-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nc(nc1c2c(O)ccc(O)c2)N)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(N)nc(n1)c2cc(O)ccc2O |
| SMILES | CACTVS | 3.370 | Nc1nc(N)nc(n1)c2cc(O)ccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1O)c2nc(nc(n2)N)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1O)c2nc(nc(n2)N)N)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)5-3-4(15)1-2-6(5)16/h1-3,15-16H,(H4,10,11,12,13,14) |
| InChIKey | InChI | 1.03 | FFMXQJGTUTXUCC-UHFFFAOYSA-N |
