A1EMX
Summary
| Name: | 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]phenol |
| Formula: | C20 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 330.383 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H18N4O/c1-11-4-5-18(25)12(2)19(11)15-6-14-7-17(24-20(14)23-8-15)16-9-21-13(3)22-10-16/h4-10,25H,1-3H3,(H,23,24) |
| InChIKey | InChI | 1.06 | CNUXOQDACVPLIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)c(C)c1c2cnc3[nH]c(cc3c2)c4cnc(C)nc4 |
| SMILES | CACTVS | 3.385 | Cc1ccc(O)c(C)c1c2cnc3[nH]c(cc3c2)c4cnc(C)nc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1c2cc3cc([nH]c3nc2)c4cnc(nc4)C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1c2cc3cc([nH]c3nc2)c4cnc(nc4)C)C)O |
