J8O
Summary
| Name: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
| Formula: | C17 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 305.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H15N5O/c1-22(6-7-23)17-12-20-16(11-21-17)8-15(10-19)14-4-2-13(9-18)3-5-14/h2-5,8,11-12,23H,6-7H2,1H3/b15-8+ |
| InChIKey | InChI | 1.03 | KAAHKPAHANCLED-OVCLIPMQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1cnc(cn1)\C=C(/C#N)c2ccc(cc2)C#N |
| SMILES | CACTVS | 3.385 | CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N |
