8KE
Summary
| Name: | [1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3S)-3-oxidanylpyrrolidin-1-yl]methanone |
| Formula: | C19 H20 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 380.401 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [1-[6-[(4-methoxyphenyl)amino]pyrimidin-4-yl]pyrazol-4-yl]-[(3~{S})-3-oxidanylpyrrolidin-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H20N6O3/c1-28-16-4-2-14(3-5-16)23-17-8-18(21-12-20-17)25-10-13(9-22-25)19(27)24-7-6-15(26)11-24/h2-5,8-10,12,15,26H,6-7,11H2,1H3,(H,20,21,23)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | XCPMHUGYOPFVKI-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Nc2cc(ncn2)n3cc(cn3)C(=O)N4CC[C@H](O)C4)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Nc2cc(ncn2)n3cc(cn3)C(=O)N4CC[CH](O)C4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2cc(ncn2)n3cc(cn3)C(=O)N4CC[C@@H](C4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Nc2cc(ncn2)n3cc(cn3)C(=O)N4CCC(C4)O |
