A1EUS
Summary
| Name: | (4R)-2-[[3-cyclobutyloxy-4-(3-methyl-3-oxidanyl-but-1-ynyl)pyridin-2-yl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol |
| Formula: | C21 H25 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 399.507 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-2-[[3-cyclobutyloxy-4-(3-methyl-3-oxidanyl-but-1-ynyl)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/C21H25N3O3S/c1-21(2,26)11-9-13-10-12-22-19(18(13)27-14-5-3-6-14)24-20-23-17-15(25)7-4-8-16(17)28-20/h10,12,14-15,25-26H,3-8H2,1-2H3,(H,22,23,24)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | XOUVEWOAOICSQU-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)C#Cc1ccnc(Nc2sc3CCC[C@@H](O)c3n2)c1OC4CCC4 |
| SMILES | CACTVS | 3.385 | CC(C)(O)C#Cc1ccnc(Nc2sc3CCC[CH](O)c3n2)c1OC4CCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C#Cc1ccnc(c1OC2CCC2)Nc3nc4c(s3)CCC[C@H]4O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C#Cc1ccnc(c1OC2CCC2)Nc3nc4c(s3)CCCC4O)O |
