RJH
Summary
| Name: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea |
| Formula: | C21 H25 Cl N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 460.914 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | IUORVTKNCDNHNC-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC[C@H]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4 |
| SMILES | CACTVS | 3.385 | COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)Nc4ccc(c(c4)Cl)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2ncc(c(n2n1)N3CCOCC3COC)NC(=O)Nc4ccc(c(c4)Cl)OC |
