Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc5cc(Oc4c(Cl)ccc1c4nnn1Cc2c3cccnc3nn2)c(Cl)c(c5)CN |
InChI | InChI | 1.03 | InChI=1S/C20H14Cl3N7O/c21-11-6-10(8-24)17(23)16(7-11)31-19-13(22)3-4-15-18(19)27-29-30(15)9-14-12-2-1-5-25-20(12)28-26-14/h1-7H,8-9,24H2,(H,25,26,28) |
InChIKey | InChI | 1.03 | CUYHWBGVPXGMKQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NCc1cc(Cl)cc(Oc2c(Cl)ccc3n(Cc4[nH]nc5ncccc45)nnc23)c1Cl |
SMILES | CACTVS | 3.370 | NCc1cc(Cl)cc(Oc2c(Cl)ccc3n(Cc4[nH]nc5ncccc45)nnc23)c1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl |