Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(C)c1nc(CC)c(c2ccccc2)c(c1c1nnn[NH]1)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C24H25N5/c1-5-18-19(16-12-8-6-9-13-16)20(17-14-10-7-11-15-17)21(23-26-28-29-27-23)22(25-18)24(2,3)4/h6-15H,5H2,1-4H3,(H,26,27,28,29) |
InChIKey | InChI | 1.06 | ZADOXTBXBOBHNJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc(c(c2[nH]nnn2)c(c3ccccc3)c1c4ccccc4)C(C)(C)C |
SMILES | CACTVS | 3.385 | CCc1nc(c(c2[nH]nnn2)c(c3ccccc3)c1c4ccccc4)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(c(c(n1)C(C)(C)C)c2[nH]nnn2)c3ccccc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(c(c(n1)C(C)(C)C)c2[nH]nnn2)c3ccccc3)c4ccccc4 |