Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H28FN9O/c1-15-27-11-16(12-28-15)21-19(26)10-20-22(32-21)23(36-25(2)6-7-25)33-24(31-20)30-17-13-29-35(14-17)18-4-8-34(3)9-5-18/h10-14,18H,4-9H2,1-3H3,(H,30,31,33) |
InChIKey | InChI | 1.03 | SZURKEABSBIIMJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F)cc5n3)c6cnc(C)nc6)cn2 |
SMILES | CACTVS | 3.385 | CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F)cc5n3)c6cnc(C)nc6)cn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F |