7XM
Summary
| Name: | isoquinoline-1,6-diamine |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | isoquinoline-1,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,10H2,(H2,11,12) |
| InChIKey | InChI | 1.03 | FTEJISMJEPMEAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2c(ccnc2N)c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2c(ccnc2N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(ccnc2N)cc1N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(ccnc2N)cc1N |
