JXN
Summary
| Name: | 8-bromanyl-9-ethyl-purin-6-amine |
| Formula: | C7 H8 Br N5 |
| Formal charge: | 0 |
| Formula weight: | 242.076 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-bromanyl-9-ethyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11) |
| InChIKey | InChI | 1.03 | GACDSQLJMZANKT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(Br)nc2c(N)ncnc12 |
| SMILES | CACTVS | 3.385 | CCn1c(Br)nc2c(N)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c2c(c(ncn2)N)nc1Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c2c(c(ncn2)N)nc1Br |
