6ZF
Summary
| Name: | 7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine |
| Formula: | C20 H25 N7 |
| Formal charge: | 0 |
| Formula weight: | 363.459 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | CLKZDZYGBHNPSM-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cn1)c2cc3nccnc3c(NC[C@H]4CCCNC4)n2 |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(cn1)c2cc3nccnc3c(NC[CH]4CCCNC4)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN(C)c1ccc(cn1)c2cc3c(c(n2)NCC4CCCNC4)nccn3 |
