1C6
Summary
| Name: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole |
| Synonyms: | omeprazole prilosec |
| Formula: | C17 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 329.417 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole |
| OpenEye OEToolkits | 1.7.6 | 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1ccc(OC)cc1nc2SCc3ncc(c(OC)c3C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) |
| InChIKey | InChI | 1.03 | XURCIPRUUASYLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2nc([nH]c2c1)SCc3ncc(C)c(OC)c3C |
| SMILES | CACTVS | 3.370 | COc1ccc2nc([nH]c2c1)SCc3ncc(C)c(OC)c3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC |
