PDB CCD ID: | 63Y |
Number of entries in BioLiP: | 5 |
Chemical formula: | C13 H9 F3 N4 S2 |
InChI: | InChI=1S/C13H9F3N4S2/c1-4-7-10(17)19-13(18)20-11(7)22-12(4)21-6-3-2-5(14)8(15)9(6)16/h2-3H,1H3,(H4,17,18,19,20) |
InChIKey: | HOYROOKWEBIDCA-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | Cc1c(Sc2ccc(F)c(F)c2F)sc3nc(N)nc(N)c13 | OpenEye OEToolkits 2.0.4 | Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N | ACDLabs 12.01 | c23sc(Sc1c(F)c(F)c(F)cc1)c(c2c(N)nc(n3)N)C |
|
Name: | 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine |
ZINC: | ZINC000584905229 |