S85
Summary
| Name: | N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE |
| Formula: | C18 H25 F N4 |
| Formal charge: | 0 |
| Formula weight: | 316.416 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-fluoranyl-phenyl]-N,N'-dimethyl-ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22) |
| InChIKey | InChI | 1.03 | ZVNKMLXKHZSKMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 |
| SMILES | CACTVS | 3.385 | CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC |
