Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc2ccc(c(c1nc(OC)ccc1)c2)C4NC(=O)c3c(nc(nc3C4)N)C |
InChI | InChI | 1.03 | InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | WSMQUUGTQYPVPD-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(n1)c2cc(F)ccc2[C@H]3Cc4nc(N)nc(C)c4C(=O)N3 |
SMILES | CACTVS | 3.385 | COc1cccc(n1)c2cc(F)ccc2[CH]3Cc4nc(N)nc(C)c4C(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c2c(nc(n1)N)CC(NC2=O)c3ccc(cc3c4cccc(n4)OC)F |