PDB CCD ID: | 2GE |
Number of entries in BioLiP: | 11 |
Chemical formula: | C13 H12 Cl2 N4 |
InChI: | InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) |
InChIKey: | PNMYJIOQIAEYQL-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | Nc1nc(NC2CC2)cc(n1)c3cccc(Cl)c3Cl | ACDLabs 12.01 | Clc3c(Cl)c(c1nc(nc(c1)NC2CC2)N)ccc3 | OpenEye OEToolkits 1.7.6 | c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3 |
|
Name: | N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine |
ChEMBL: | CHEMBL3782004 |
ZINC: | ZINC000098208168 |