H7X
Summary
| Name: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid |
| Formula: | C22 H24 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 412.502 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H24N2O4S/c1-27-14-3-4-19-16(9-14)21(29-12-13-5-7-23-8-6-13)17-10-15(28-2)11-18(22(25)26)20(17)24-19/h3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,25,26) |
| InChIKey | InChI | 1.03 | MQAACDZZXHHSOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4 |
