A1MAO
Summary
| Name: | TAS-2913 |
| Synonyms: | 1-[(3~{R})-3-(4-azanyl-5-quinolin-3-yl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl]propan-1-one |
| Formula: | C22 H20 N6 O |
| Formal charge: | 0 |
| Formula weight: | 384.434 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{R})-3-(4-azanyl-5-quinolin-3-yl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H20N6O/c1-2-19(29)27-8-7-16(11-27)28-12-17(20-21(23)25-13-26-22(20)28)15-9-14-5-3-4-6-18(14)24-10-15/h2-6,9-10,12-13,16H,1,7-8,11H2,(H2,23,25,26)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | IQJPWAAWPFBLPZ-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(cc(c3cnc4ccccc4c3)c12)[C@@H]5CCN(C5)C(=O)C=C |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(cc(c3cnc4ccccc4c3)c12)[CH]5CCN(C5)C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N1CC[C@H](C1)n2cc(c3c2ncnc3N)c4cc5ccccc5nc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N1CCC(C1)n2cc(c3c2ncnc3N)c4cc5ccccc5nc4 |
