A1D69
Summary
| Name: | 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine |
| Formula: | C14 H12 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 305.783 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H12ClN3OS/c1-18(9-3-5-10(19-2)6-4-9)13-12-11(7-8-20-12)16-14(15)17-13/h3-8H,1-2H3 |
| InChIKey | InChI | 1.06 | HORXFYJUOOLKSX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N(C)c2nc(Cl)nc3ccsc23 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)N(C)c2nc(Cl)nc3ccsc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)OC)c2c3c(ccs3)nc(n2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)OC)c2c3c(ccs3)nc(n2)Cl |
