Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1=4C(=C(N)N=CN1Cc2c(Cl)cccc2Cl)N=C(c3c(cccc3)C)N=4 |
InChI | InChI | 1.03 | InChI=1S/C19H15Cl2N5/c1-11-5-2-3-6-12(11)18-24-16-17(22)23-10-26(19(16)25-18)9-13-14(20)7-4-8-15(13)21/h2-8,10H,9,22H2,1H3 |
InChIKey | InChI | 1.03 | OAGNWWLJSOJIFV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2nc3n(Cc4c(Cl)cccc4Cl)cnc(N)c3n2 |
SMILES | CACTVS | 3.385 | Cc1ccccc1c2nc3n(Cc4c(Cl)cccc4Cl)cnc(N)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N |