Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1c(OC)c(C)cnc1CSc1nc2ccc3cccnc3c2[NH]1 |
InChI | InChI | 1.03 | InChI=1S/C19H18N4OS/c1-11-9-21-15(12(2)18(11)24-3)10-25-19-22-14-7-6-13-5-4-8-20-16(13)17(14)23-19/h4-9H,10H2,1-3H3,(H,22,23) |
InChIKey | InChI | 1.03 | ZWELDPMNGYNELL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1c(C)cnc(CSc2[nH]c3c(ccc4cccnc34)n2)c1C |
SMILES | CACTVS | 3.385 | COc1c(C)cnc(CSc2[nH]c3c(ccc4cccnc34)n2)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3nccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3nccc4 |