Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4 |
SMILES | CACTVS | 3.352 | Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24) |
InChIKey | InChI | 1.03 | JFVMZMBFRZPOFF-UHFFFAOYSA-N |