Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(F)(F)(F)Oc4c(CNC(Nc2c(c1ccccc1)nc3n2ccnc3C)=O)cc(cc4)COC |
InChI | InChI | 1.03 | InChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33) |
InChIKey | InChI | 1.03 | KNZNJSNITSGMNY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2n3ccnc(C)c3nc2c4ccccc4)c1 |
SMILES | CACTVS | 3.385 | COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2n3ccnc(C)c3nc2c4ccccc4)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4 |