Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1nc3ccc(nn3c1c2cn(nc2)C)Sc4cc(OC)ccc4OC |
InChI | InChI | 1.03 | InChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)17-20-19-15-6-7-16(21-23(15)17)26-14-8-12(24-2)4-5-13(14)25-3/h4-10H,1-3H3 |
InChIKey | InChI | 1.03 | RAHGVIZTQAHVRX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OC)c(Sc2ccc3nnc(n3n2)c4cnn(C)c4)c1 |
SMILES | CACTVS | 3.385 | COc1ccc(OC)c(Sc2ccc3nnc(n3n2)c4cnn(C)c4)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC |