Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1nccc(c1)C3(N=C(c2c(F)cccc23)N)c5ccc(F)c(c4cncnc4)c5 |
InChI | InChI | 1.03 | InChI=1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | UDQUVXUVXUGJFO-QHCPKHFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=N[C@](c2ccnc(c2)C(F)(F)F)(c3ccc(F)c(c3)c4cncnc4)c5cccc(F)c15 |
SMILES | CACTVS | 3.385 | NC1=N[C](c2ccnc(c2)C(F)(F)F)(c3ccc(F)c(c3)c4cncnc4)c5cccc(F)c15 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)F)C(=NC2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N |