Z0W
Summary
| Name: | 5H-pyrimido[5,4-b]indole |
| Formula: | C10 H7 N3 |
| Formal charge: | 0 |
| Formula weight: | 169.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5H-pyrimido[5,4-b]indole |
| OpenEye OEToolkits | 1.9.2 | 5H-pyrimido[5,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc3c(nc1)c2c(cccc2)n3 |
| InChI | InChI | 1.03 | InChI=1S/C10H7N3/c1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10/h1-6,13H |
| InChIKey | InChI | 1.03 | IADMQABXGAXDPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1c2ccccc2c3ncncc13 |
| SMILES | CACTVS | 3.385 | [nH]1c2ccccc2c3ncncc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c3c([nH]2)cncn3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c3c([nH]2)cncn3 |
