Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(F)c(C)c1)c2cnc(nc2)C(C)Nc4nccc(N3C(OCC3C(C)C)=O)n4 |
InChI | InChI | 1.03 | InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1 |
InChIKey | InChI | 1.03 | JDCYIMQAIKEACU-HNAYVOBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1COC(=O)N1c2ccnc(N[C@@H](C)c3ncc(cn3)c4ccc(F)c(C)c4)n2 |
SMILES | CACTVS | 3.385 | CC(C)[CH]1COC(=O)N1c2ccnc(N[CH](C)c3ncc(cn3)c4ccc(F)c(C)c4)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1F)c2cnc(nc2)C(C)Nc3nccc(n3)N4C(COC4=O)C(C)C |