WMR
Summary
| Name: | 5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine |
| Formula: | C15 H22 N4 S |
| Formal charge: | 0 |
| Formula weight: | 290.427 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H22N4S/c1-4-5-6-11-10-8-20-15(2,3)7-9(10)12-13(16)18-19-14(12)17-11/h4-8H2,1-3H3,(H3,16,17,18,19) |
| InChIKey | InChI | 1.03 | MPWCUTPIYOWTII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13 |
| SMILES | CACTVS | 3.385 | CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C |
