Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1c(nc(nc1)Nc2cccc(O)c2)c3sc(nc3C)NC |
InChI | InChI | 1.03 | InChI=1S/C16H14N6OS/c1-9-14(24-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(23)6-11/h3-6,8,23H,1-2H3,(H,18,20)(H,19,21,22) |
InChIKey | InChI | 1.03 | NYRVLHGVDPPWJS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1sc(c(C)n1)c2nc(Nc3cccc(O)c3)ncc2C#N |
SMILES | CACTVS | 3.385 | CNc1sc(c(C)n1)c2nc(Nc3cccc(O)c3)ncc2C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N |