Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1c(C)c(OC)c(C)nc1CSc1[NH]c2cc3OCOc3cc2n1 |
InChI | InChI | 1.03 | InChI=1S/C18H19N3O3S/c1-9-10(2)17(22-4)11(3)19-14(9)7-25-18-20-12-5-15-16(24-8-23-15)6-13(12)21-18/h5-6H,7-8H2,1-4H3,(H,20,21) |
InChIKey | InChI | 1.03 | WCDJVYBGDYQGOC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1c(C)nc(CSc2[nH]c3cc4OCOc4cc3n2)c(C)c1C |
SMILES | CACTVS | 3.385 | COc1c(C)nc(CSc2[nH]c3cc4OCOc4cc3n2)c(C)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(nc1CSc2[nH]c3cc4c(cc3n2)OCO4)C)OC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(nc1CSc2[nH]c3cc4c(cc3n2)OCO4)C)OC)C |