Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(NC(c1ccc(cc1F)F)C)ccc2n(c(cn2)c3cc(C)nn3)n4 |
InChI | InChI | 1.03 | InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | SMKJDFHRUWJNRS-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1ccc2ncc(n2n1)c3cc(C)[nH]n3)c4ccc(F)cc4F |
SMILES | CACTVS | 3.385 | C[CH](Nc1ccc2ncc(n2n1)c3cc(C)[nH]n3)c4ccc(F)cc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(n[nH]1)c2cnc3n2nc(cc3)N[C@@H](C)c4ccc(cc4F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(n[nH]1)c2cnc3n2nc(cc3)NC(C)c4ccc(cc4F)F |