AUY
Summary
| Name: | 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid |
| Formula: | C12 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 248.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O2S/c1-8-4-9(17-7-8)5-14-11-6-13-3-2-10(11)12(15)16/h2-4,6-7,14H,5H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | CXLKBDJGFBROEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1csc(CNc2cnccc2C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1csc(CNc2cnccc2C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(sc1)CNc2cnccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(sc1)CNc2cnccc2C(=O)O |
