Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(Cc1cc(c(cc1)Cl)Cl)C(=O)c4cc(c2c(C)nc(cc2)F)cc(CN3\C(=N)N(C)C=C3)c4 |
InChI | InChI | 1.03 | InChI=1S/C25H22Cl2FN5O/c1-15-20(4-6-23(28)31-15)18-9-17(14-33-8-7-32(2)25(33)29)10-19(12-18)24(34)30-13-16-3-5-21(26)22(27)11-16/h3-12,29H,13-14H2,1-2H3,(H,30,34)/b29-25+ |
InChIKey | InChI | 1.03 | ZPVQIJIWGMKMQN-XLVZBRSZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=CN(Cc2cc(cc(c2)c3ccc(F)nc3C)C(=O)NCc4ccc(Cl)c(Cl)c4)C1=N |
SMILES | CACTVS | 3.385 | CN1C=CN(Cc2cc(cc(c2)c3ccc(F)nc3C)C(=O)NCc4ccc(Cl)c(Cl)c4)C1=N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(ccc(n1)F)c2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)CN4C=CN(C4=N)C |