Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cccc(c1)c1c[NH]c2nc(N)nc(NCC)c21 |
InChI | InChI | 1.03 | InChI=1S/C15H14F3N5/c1-2-20-12-11-10(7-21-13(11)23-14(19)22-12)8-4-3-5-9(6-8)15(16,17)18/h3-7H,2H2,1H3,(H4,19,20,21,22,23) |
InChIKey | InChI | 1.03 | KYUVULCVGJSWCR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNc1nc(N)nc2[nH]cc(c3cccc(c3)C(F)(F)F)c12 |
SMILES | CACTVS | 3.385 | CCNc1nc(N)nc2[nH]cc(c3cccc(c3)C(F)(F)F)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1c2c(c[nH]c2nc(n1)N)c3cccc(c3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1c2c(c[nH]c2nc(n1)N)c3cccc(c3)C(F)(F)F |