Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 |
InChIKey | InChI | 1.03 | VREFGVBLTWBCJP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12 |
SMILES | CACTVS | 3.370 | Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl |