A1JX7
Summary
| Name: | ~{N}-(2-methoxyphenyl)-4-[[methyl-[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl]carbamoyl]amino]benzamide |
| Formula: | C26 H25 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 471.508 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-methoxyphenyl)-4-[[methyl-[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl]carbamoyl]amino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H25N5O4/c1-31(16-15-23-28-20-8-4-3-7-19(20)25(33)30-23)26(34)27-18-13-11-17(12-14-18)24(32)29-21-9-5-6-10-22(21)35-2/h3-14H,15-16H2,1-2H3,(H,27,34)(H,29,32)(H,28,30,33) |
| InChIKey | InChI | 1.06 | GYNZJLOMKOIPRE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1NC(=O)c2ccc(NC(=O)N(C)CCC3=Nc4ccccc4C(=O)N3)cc2 |
| SMILES | CACTVS | 3.385 | COc1ccccc1NC(=O)c2ccc(NC(=O)N(C)CCC3=Nc4ccccc4C(=O)N3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCC1=Nc2ccccc2C(=O)N1)C(=O)Nc3ccc(cc3)C(=O)Nc4ccccc4OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCC1=Nc2ccccc2C(=O)N1)C(=O)Nc3ccc(cc3)C(=O)Nc4ccccc4OC |
