W64
Summary
| Name: | 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine |
| Formula: | C18 H25 N5 |
| Formal charge: | 0 |
| Formula weight: | 311.425 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)pyridin-3-yl]ethyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H25N5/c1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23/h9-13H,3-8H2,1-2H3,(H2,19,21) |
| InChIKey | InChI | 1.03 | QJETXLUKROHQMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2cncc(CCc3cc(C)cc(N)n3)c2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2cncc(CCc3cc(C)cc(N)n3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C |
