A1D68
Summary
Name: | 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-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[2,3-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)12-11-7-8-20-13(11)17-14(15)16-12/h3-8H,1-2H3 |
InChIKey | InChI | 1.06 | MKRYUWBRVWYRBJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N(C)c2nc(Cl)nc3sccc23 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)N(C)c2nc(Cl)nc3sccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)OC)c2c3ccsc3nc(n2)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)OC)c2c3ccsc3nc(n2)Cl |