CEB
Summary
| Name: | 2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE |
| Synonyms: | DG-420314 |
| Formula: | C10 H15 Cl N6 |
| Formal charge: | 0 |
| Formula weight: | 254.719 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]-2-methyl-butanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1nc(nc(n1)NC(C#N)(C)CC)NCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCNc1nc(Cl)nc(N[C@@](C)(CC)C#N)n1 |
| SMILES | CACTVS | 3.341 | CCNc1nc(Cl)nc(N[C](C)(CC)C#N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)(C#N)Nc1nc(nc(n1)Cl)NCC |
| InChI | InChI | 1.03 | InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | IUCVBFHDSFSEIK-JTQLQIEISA-N |
