RW6
Summary
| Name: | 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one |
| Formula: | C18 H19 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 357.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19N3O3S/c1-23-14-7-12-13(8-15(14)24-2)19-17(20-18(12)22)10-21-5-3-16-11(9-21)4-6-25-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,20,22) |
| InChIKey | InChI | 1.06 | OKUZLQSVACVDFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4)C3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4)C3 |
