MFR
Summary
| Name: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
| Formula: | C12 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 241.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
| OpenEye OEToolkits | 1.5.0 | 4-(4-methoxy-1H-pyrrolo[5,4-b]pyridin-3-yl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1ccc(OC)c2c1ncc2c3nc(ncc3)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccnc2[nH]cc(c3ccnc(N)n3)c12 |
| SMILES | CACTVS | 3.341 | COc1ccnc2[nH]cc(c3ccnc(N)n3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17) |
| InChIKey | InChI | 1.03 | GGEWEQJWGGJUHO-UHFFFAOYSA-N |
