PDB CCD ID: | QLZ |
Number of entries in BioLiP: | 2 |
Chemical formula: | C18 H22 N4 O2 |
InChI: | InChI=1S/C18H22N4O2/c1-4-6-15-14(17(19)22-18(20)21-15)8-5-7-12-11-13(23-2)9-10-16(12)24-3/h9-11H,4,6-7H2,1-3H3,(H4,19,20,21,22) |
InChIKey: | VSWSZIRWLYCVMG-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC | CACTVS 3.370 | CCCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC | ACDLabs 12.01 | n2c(c(C#CCc1cc(OC)ccc1OC)c(nc2N)N)CCC |
|
Name: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine |
ChEMBL: | CHEMBL485962 |
ZINC: | ZINC000045484447 |