X06
Summary
| Name: | 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol |
| Formula: | C9 H8 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 237.646 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol |
| OpenEye OEToolkits | 1.7.0 | 2-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]-4-chloro-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(O)cc1)c2nc(nc(n2)N)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(N)nc(n1)c2cc(Cl)ccc2O |
| SMILES | CACTVS | 3.370 | Nc1nc(N)nc(n1)c2cc(Cl)ccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClN5O/c10-4-1-2-6(16)5(3-4)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15) |
| InChIKey | InChI | 1.03 | NOWKBXMQKRTOCM-UHFFFAOYSA-N |
