J0F
Summary
| Name: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine |
| Formula: | C10 H12 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 254.126 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-2-methyl-6-propyl-7~{H}-pyrrolo[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12BrN3/c1-3-4-8-9(11)7-5-12-6(2)13-10(7)14-8/h5H,3-4H2,1-2H3,(H,12,13,14) |
| InChIKey | InChI | 1.03 | YMPZAUCKCQGIBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1[nH]c2nc(C)ncc2c1Br |
| SMILES | CACTVS | 3.385 | CCCc1[nH]c2nc(C)ncc2c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1c(c2cnc(nc2[nH]1)C)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1c(c2cnc(nc2[nH]1)C)Br |
