ALH
Summary
| Name: | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE |
| Synonyms: | ALOISINE A |
| Formula: | C16 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 267.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol |
| OpenEye OEToolkits | 1.5.0 | 4-(7-butyl-5H-pyrrolo[4,5-b]pyrazin-6-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c3c(ncc1)c(c(c2ccc(O)cc2)n3)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCc1c([nH]c2nccnc12)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.341 | CCCCc1c([nH]c2nccnc12)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2 |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | PRIGRJPRGZCFAS-UHFFFAOYSA-N |
