Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C17H14N10/c18-7-11-8-22-27-16(24-12-1-2-12)6-14(25-17(11)27)23-13-3-4-19-15(5-13)26-9-20-21-10-26/h3-6,8-10,12,24H,1-2H2,(H,19,23,25) |
InChIKey | InChI | 1.06 | ZJVFPYPVBVBLGY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cnn2c(NC3CC3)cc(Nc4ccnc(c4)n5cnnc5)nc12 |
SMILES | CACTVS | 3.385 | N#Cc1cnn2c(NC3CC3)cc(Nc4ccnc(c4)n5cnnc5)nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4)n5cnnc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4)n5cnnc5 |