A1EVC
Summary
| Name: | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)thieno[2,3-d]pyrimidin-4-amine |
| Formula: | C15 H12 Cl N5 S |
| Formal charge: | 0 |
| Formula weight: | 329.807 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)thieno[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12ClN5S/c1-20(10-3-4-12-9(7-10)8-17-21(12)2)13-11-5-6-22-14(11)19-15(16)18-13/h3-8H,1-2H3 |
| InChIKey | InChI | 1.06 | JWXSZPKBEJQDIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4sccc34 |
| SMILES | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4sccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4ccsc4nc(n3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4ccsc4nc(n3)Cl |
