A1EOU
Summary
| Name: | (4R)-2-[(3-cyclobutyloxy-4-phenyl-pyridin-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol |
| Formula: | C22 H23 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 393.502 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-2-[(3-cyclobutyloxy-4-phenyl-pyridin-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H23N3O2S/c26-17-10-5-11-18-19(17)24-22(28-18)25-21-20(27-15-8-4-9-15)16(12-13-23-21)14-6-2-1-3-7-14/h1-3,6-7,12-13,15,17,26H,4-5,8-11H2,(H,23,24,25)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | IVPNYZFFKBWVQB-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCc2sc(Nc3nccc(c3OC4CCC4)c5ccccc5)nc12 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCc2sc(Nc3nccc(c3OC4CCC4)c5ccccc5)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccnc(c2OC3CCC3)Nc4nc5c(s4)CCC[C@H]5O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccnc(c2OC3CCC3)Nc4nc5c(s4)CCCC5O |
