Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(OC)nc2c(cc1)nc(n2)[n+]3c(c(c(OC)c(c3)C)C)CS |
InChI | InChI | 1.03 | InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1 |
InChIKey | InChI | 1.03 | IOWWPLTUCPQFIL-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc([nH]c2n1)[n+]3cc(C)c(OC)c(C)c3CS |
SMILES | CACTVS | 3.385 | COc1ccc2nc([nH]c2n1)[n+]3cc(C)c(OC)c(C)c3CS |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC |