WTJ
Summary
| Name: | 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE |
| Formula: | C16 H20 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 348.42 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.6.1 | 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-(2-dimethylaminoethyl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCN(C)C)c3cc(c1scc2OCCOc12)cnc3N |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)CCNC(=O)c1cc(cnc1N)c2scc3OCCOc23 |
| SMILES | CACTVS | 3.352 | CN(C)CCNC(=O)c1cc(cnc1N)c2scc3OCCOc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3 |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21) |
| InChIKey | InChI | 1.03 | XGNFTBBPLXKQQH-UHFFFAOYSA-N |
