23D
Summary
| Name: | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-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 |
| ACDLabs | 10.04 | N~2~-[(1R,2R)-2-aminocyclohexyl]-N~6~-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine |
| OpenEye OEToolkits | 1.5.0 | N-[(1R,2R)-2-aminocyclohexyl]-N'-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cccc(c1)Nc3nc(nc2c3ncn2CC)NC4CCCCC4N |
| SMILES_CANONICAL | CACTVS | 3.341 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]4CCCC[C@H]4N)nc12 |
| SMILES | CACTVS | 3.341 | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N |
| 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-/m1/s1 |
| InChIKey | InChI | 1.03 | UTBSBSOBZHXMHI-HUUCEWRRSA-N |
