S90
Summary
| Name: | N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1-cyclopropyl-N2-methylethane-1,2-diamine |
| Formula: | C20 H27 F N4 |
| Formal charge: | 0 |
| Formula weight: | 342.454 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'-cyclopropyl-N-methyl-ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H27FN4/c1-14-9-17(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(8-7-23-2)18-5-6-18/h9-13,18,23H,3-8H2,1-2H3,(H2,22,24) |
| InChIKey | InChI | 1.03 | CZBLKBKVAIKTJH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCN(C1CC1)c2cc(F)cc(CCc3cc(C)cc(N)n3)c2 |
| SMILES | CACTVS | 3.385 | CNCCN(C1CC1)c2cc(F)cc(CCc3cc(C)cc(N)n3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3 |
