Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ncccc1c6cc5c(Oc3ncc(C#CC2(C)COC2)cc3C54N=C(OC4)N)cc6 |
InChI | InChI | 1.03 | InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1 |
InChIKey | InChI | 1.03 | GKKFBOARESVMBW-VWLOTQADSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(COC1)C#Cc2cnc3Oc4ccc(cc4[C@@]5(COC(=N5)N)c3c2)c6cccnc6F |
SMILES | CACTVS | 3.385 | CC1(COC1)C#Cc2cnc3Oc4ccc(cc4[C]5(COC(=N5)N)c3c2)c6cccnc6F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4C35COC(=N5)N)c6cccnc6F |