CQO
Summary
| Name: | 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine |
| Formula: | C18 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 328.429 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3 |
| InChIKey | InChI | 1.03 | ZFOMCSNUEHMROO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN |
