Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | Fc1cc(cc(c1)C2=NC(NC=C2)=Nc3ccc(cc3)n4cnc(n4)N5CCOCC5)N6CCOCC6 |
SMILES | CACTVS | 3.352 | Fc1cc(cc(c1)C2=NC(NC=C2)=Nc3ccc(cc3)n4cnc(n4)N5CCOCC5)N6CCOCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1N=C2NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6 |
InChI | InChI | 1.03 | InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31) |
InChIKey | InChI | 1.03 | AHMHIFXJPSHHPH-UHFFFAOYSA-N |