FC8
Summary
| Name: | ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine |
| Formula: | C19 H24 Cl N7 |
| Formal charge: | 0 |
| Formula weight: | 385.894 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1 |
| InChIKey | InChI | 1.03 | UTBSBSOBZHXMHI-LSDHHAIUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]4CCCC[C@@H]4N)nc12 |
| SMILES | CACTVS | 3.385 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N |
