Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | N#Cc1cnn2c(NCCc3[nH]cnc3)nc(Nc4ccccc4)nc12 |
SMILES | CACTVS | 3.341 | N#Cc1cnn2c(NCCc3[nH]cnc3)nc(Nc4ccccc4)nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N |
InChI | InChI | 1.03 | InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25) |
InChIKey | InChI | 1.03 | IWUUKHQIKFHWIW-UHFFFAOYSA-N |