A1IEF
Summary
| Name: | 1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea |
| Formula: | C19 H27 N7 O |
| Formal charge: | 0 |
| Formula weight: | 369.464 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | HHACEXLLNHJLFT-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(Cc1ccncc1)c2cc(C)nc(n2)N3CCC[C@H]3CNC(N)=O |
| SMILES | CACTVS | 3.385 | CCN(Cc1ccncc1)c2cc(C)nc(n2)N3CCC[CH]3CNC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(Cc1ccncc1)c2cc(nc(n2)N3CCC[C@H]3CNC(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(Cc1ccncc1)c2cc(nc(n2)N3CCCC3CNC(=O)N)C |
