VUZ
Summary
| Name: | ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide |
| Formula: | C22 H20 Cl N7 O |
| Formal charge: | 0 |
| Formula weight: | 433.894 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H20ClN7O/c1-3-20(31)25-15-6-5-7-16(11-15)26-21-18-10-14(23)8-9-19(18)28-22(29-21)27-17-12-24-30(4-2)13-17/h3,5-13H,1,4H2,2H3,(H,25,31)(H2,26,27,28,29) |
| InChIKey | InChI | 1.06 | FCHNDUSRWAGJES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c4cc(Cl)ccc4n2)cn1 |
| SMILES | CACTVS | 3.385 | CCn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c4cc(Cl)ccc4n2)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1cc(cn1)Nc2nc3ccc(cc3c(n2)Nc4cccc(c4)NC(=O)C=C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1cc(cn1)Nc2nc3ccc(cc3c(n2)Nc4cccc(c4)NC(=O)C=C)Cl |
