SJG
Summary
| Name: | ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate |
| Formula: | C28 H30 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 498.576 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H30N6O3/c1-3-36-28(35)34-23-10-4-8-21-20(23)12-11-18(2)25(21)37-26-22(9-6-15-30-26)24-13-16-31-27(33-24)32-19-7-5-14-29-17-19/h4,6,8-13,15-16,19,29H,3,5,7,14,17H2,1-2H3,(H,34,35)(H,31,32,33)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | FAXJSCJHZCBHCM-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[C@H]5CCCNC5)n4)c(C)ccc12 |
| SMILES | CACTVS | 3.385 | CCOC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)C |
