OKM
Summary
| Name: | 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol |
| Formula: | C8 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 197.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol |
| OpenEye OEToolkits | 2.0.7 | 4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(Nc1nc(nc(NCC)n1)O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) |
| InChIKey | InChI | 1.03 | NFMIMWNQWAWNDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1nc(O)nc(NC(C)C)n1 |
| SMILES | CACTVS | 3.385 | CCNc1nc(O)nc(NC(C)C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1nc(nc(n1)O)NC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1nc(nc(n1)O)NC(C)C |
