A1BXN
Summary
| Name: | isoquinolin-4-amine |
| Formula: | C9 H8 N2 |
| Formal charge: | 0 |
| Formula weight: | 144.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | isoquinolin-4-amine |
| OpenEye OEToolkits | 3.1.0.0 | isoquinolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1cncc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2 |
| InChIKey | InChI | 1.06 | ISIUXVGHQFJYHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cncc2ccccc12 |
| SMILES | CACTVS | 3.385 | Nc1cncc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)cncc2N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)cncc2N |
