Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)c3n(cnc3c2ccccc2)CCn4nnc(c4)C |
InChI | InChI | 1.03 | InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3 |
InChIKey | InChI | 1.03 | OAPIWVHFYSEARE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(CCn2cnc(c3ccccc3)c2c4ccc(cc4)C#N)nn1 |
SMILES | CACTVS | 3.385 | Cc1cn(CCn2cnc(c3ccccc3)c2c4ccc(cc4)C#N)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4 |