Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)n2cc(cc2cc1C)C#N |
InChI | InChI | 1.03 | InChI=1S/C22H17N7/c1-14-9-19-10-17(12-24)13-29(19)15(2)21(14)27-20-7-8-25-22(28-20)26-18-5-3-16(11-23)4-6-18/h3-10,13H,1-2H3,(H2,25,26,27,28) |
InChIKey | InChI | 1.03 | GMFRQOLPQYTHQH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2cc(cn2c(C)c1Nc3ccnc(Nc4ccc(cc4)C#N)n3)C#N |
SMILES | CACTVS | 3.385 | Cc1cc2cc(cn2c(C)c1Nc3ccnc(Nc4ccc(cc4)C#N)n3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N |