KGW
Summary
| Name: | 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-N-methylbenzamide |
| Formula: | C22 H25 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 435.479 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}-1,3,5-triazin-2-yl)amino]-N-methylbenzamide |
| OpenEye OEToolkits | 1.9.2 | 2-[[4-[(2-methoxy-4-morpholin-4-yl-phenyl)amino]-1,3,5-triazin-2-yl]amino]-N-methyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC)c1ccccc1Nc2ncnc(n2)Nc4c(OC)cc(N3CCOCC3)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C22H25N7O3/c1-23-20(30)16-5-3-4-6-17(16)26-21-24-14-25-22(28-21)27-18-8-7-15(13-19(18)31-2)29-9-11-32-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28) |
| InChIKey | InChI | 1.03 | MMFUMGAALISETK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccccc1Nc2ncnc(Nc3ccc(cc3OC)N4CCOCC4)n2 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1ccccc1Nc2ncnc(Nc3ccc(cc3OC)N4CCOCC4)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4 |
