IXQ
Summary
Name: | N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide |
Synonyms: | N-(3-{[2-(5-Chloro-6-fluoro-1H-benzoimidazol-2-yl)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-N-methyl-methanesulfonamide |
Formula: | C19 H17 Cl F N7 O2 S |
Formal charge: | 0 |
Formula weight: | 461.9 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[[[2-(6-chloranyl-5-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-6-23-19)10-24-16-5-7-22-17(27-16)18-25-14-8-12(20)13(21)9-15(14)26-18/h3-9H,10H2,1-2H3,(H,25,26)(H,22,24,27) |
InChIKey | InChI | 1.06 | SSZBLNIVOGDOJH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4cc(Cl)c(F)cc4n3)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4cc(Cl)c(F)cc4n3)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4cc(c(cc4n3)F)Cl)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4cc(c(cc4n3)F)Cl)S(=O)(=O)C |