39P
Summary
| Name: | 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
| Formula: | C22 H23 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 433.463 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-4-{[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]amino}-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 5-methyl-4-[[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]amino]-N-propyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c3ccc(c(Nc2ncnn1c2c(c(C(=O)NCCC)c1)C)c3)C)Nc4nocc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc4ccon4)c2c1C |
| SMILES | CACTVS | 3.370 | CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc4ccon4)c2c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4 |
| InChI | InChI | 1.03 | InChI=1S/C22H23N7O3/c1-4-8-23-22(31)16-11-29-19(14(16)3)20(24-12-25-29)26-17-10-15(6-5-13(17)2)21(30)27-18-7-9-32-28-18/h5-7,9-12H,4,8H2,1-3H3,(H,23,31)(H,24,25,26)(H,27,28,30) |
| InChIKey | InChI | 1.03 | MCTUUCHJENITIK-UHFFFAOYSA-N |
