A1D7A
Summary
| Name: | 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one |
| Formula: | C15 H11 Cl N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 346.791 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H11ClN4O2S/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21) |
| InChIKey | InChI | 1.06 | IMWRGLVTHDEING-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccsc34 |
| SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccsc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(ccs4)nc(n3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(ccs4)nc(n3)Cl |
