PDB CCD ID: | 16K |
Number of entries in BioLiP: | 1 |
Chemical formula: | C15 H13 N5 O2 S |
InChI: | InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) |
InChIKey: | DEIGLICSSNUYPO-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-] | CACTVS 3.370 | Cc1sc(c(C)n1)c2ccnc(Nc3cccc(c3)[N+]([O-])=O)n2 | ACDLabs 12.01 | [O-][N+](=O)c1cccc(c1)Nc3nc(c2sc(nc2C)C)ccn3 |
|
Name: | 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine |
ChEMBL: | CHEMBL45408 |
ZINC: | ZINC000013559871 |