MHR
Summary
| Name: | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
| Formula: | C14 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 269.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
| OpenEye OEToolkits | 1.5.0 | 4-(4-propoxy-1H-pyrrolo[5,4-b]pyridin-3-yl)pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1ccc(OCCC)c2c1ncc2c3nc(ncc3)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCOc1ccnc2[nH]cc(c3ccnc(N)n3)c12 |
| SMILES | CACTVS | 3.341 | CCCOc1ccnc2[nH]cc(c3ccnc(N)n3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N |
| InChI | InChI | 1.03 | InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19) |
| InChIKey | InChI | 1.03 | ZHMRPXZRUZLCNL-UHFFFAOYSA-N |
