Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1N)Nc2ccccc2)c3cccc(OC)c3 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(c1)C(=O)c2sc(Nc3ccccc3)nc2N |
SMILES | CACTVS | 3.370 | COc1cccc(c1)C(=O)c2sc(Nc3ccccc3)nc2N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N |
InChI | InChI | 1.03 | InChI=1S/C17H15N3O2S/c1-22-13-9-5-6-11(10-13)14(21)15-16(18)20-17(23-15)19-12-7-3-2-4-8-12/h2-10H,18H2,1H3,(H,19,20) |
InChIKey | InChI | 1.03 | LXKAYWZVBXYTGU-UHFFFAOYSA-N |