Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(nnn1)c2c(cccc2)c3ccc(cc3)CN(c4nc(cc(n4)C)C)CCCC |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(C)cc(C)n4 |
SMILES | CACTVS | 3.370 | CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(C)cc(C)n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C |
InChI | InChI | 1.03 | InChI=1S/C24H27N7/c1-4-5-14-31(24-25-17(2)15-18(3)26-24)16-19-10-12-20(13-11-19)21-8-6-7-9-22(21)23-27-29-30-28-23/h6-13,15H,4-5,14,16H2,1-3H3,(H,27,28,29,30) |
InChIKey | InChI | 1.03 | ZSQBWJVNWXAGKO-UHFFFAOYSA-N |