H5R
Summary
| Name: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
| Formula: | C21 H24 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 368.492 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H24N2O2S/c1-24-15-3-5-19-17(11-15)21(26-13-14-7-9-22-10-8-14)18-12-16(25-2)4-6-20(18)23-19/h3-6,11-12,14,22H,7-10,13H2,1-2H3 |
| InChIKey | InChI | 1.03 | KSMWPFBVZBOUFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3ccc(OC)cc3c(SCC4CCNCC4)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2nc3ccc(OC)cc3c(SCC4CCNCC4)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 |
