Obsolete: TAW
Summary
| Name: | Futibatinib |
| Synonyms: | TAS-120 |
| Formula: | C22 H22 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 418.448 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{R})-3-[4-azanyl-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | KEIPNCCJPRMIAX-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)cc(c1)C#Cc2nn([C@@H]3CCN(C3)C(=O)C=C)c4ncnc(N)c24 |
| SMILES | CACTVS | 3.385 | COc1cc(OC)cc(c1)C#Cc2nn([CH]3CCN(C3)C(=O)C=C)c4ncnc(N)c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N |
