J8L
Summary
| Name: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
| Formula: | C19 H20 N6 |
| Formal charge: | 0 |
| Formula weight: | 332.402 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H20N6/c1-24(2)8-9-25(3)19-14-22-18(13-23-19)10-17(12-21)16-6-4-15(11-20)5-7-16/h4-7,10,13-14H,8-9H2,1-3H3/b17-10+ |
| InChIKey | InChI | 1.03 | LKDZROJVPDPWQB-LICLKQGHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCN(C)c1cnc(cn1)\C=C(/C#N)c2ccc(cc2)C#N |
| SMILES | CACTVS | 3.385 | CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N |
