Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc5ccc(c1nn2c(nnc2nc1)Cc4c3cccnc3nc4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C19H12N8/c20-9-12-3-5-13(6-4-12)16-11-23-19-25-24-17(27(19)26-16)8-14-10-22-18-15(14)2-1-7-21-18/h1-7,10-11H,8H2,(H,21,22) |
InChIKey | InChI | 1.03 | JJWKCZCBEYPJAJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cnc3nnc(Cc4c[nH]c5ncccc45)n3n2 |
SMILES | CACTVS | 3.385 | N#Cc1ccc(cc1)c2cnc3nnc(Cc4c[nH]c5ncccc45)n3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N |