JWS
Summary
| Name: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol |
| Formula: | C10 H11 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 233.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol |
| OpenEye OEToolkits | 1.7.0 | 2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]-4-methoxy-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nc(nc1c2c(O)ccc(OC)c2)N)N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(O)c(c1)c2nc(N)nc(N)n2 |
| SMILES | CACTVS | 3.370 | COc1ccc(O)c(c1)c2nc(N)nc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(c(c1)c2nc(nc(n2)N)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(c(c1)c2nc(nc(n2)N)N)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11N5O2/c1-17-5-2-3-7(16)6(4-5)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15) |
| InChIKey | InChI | 1.03 | OQGZVJIFCDXDFS-UHFFFAOYSA-N |
