0JP
Summary
| Name: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline |
| Formula: | C16 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 313.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline |
| OpenEye OEToolkits | 1.7.6 | 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cn4c(c1c2scnc2)c3cc(OC)c(OC)cc3CC4 |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | GFIAXSKRRKHJBD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2CCn3cnc(c4scnc4)c3c2cc1OC |
| SMILES | CACTVS | 3.370 | COc1cc2CCn3cnc(c4scnc4)c3c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4 |
