Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23) |
InChIKey | InChI | 1.03 | GDQXJQSQYMMKRA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14 |
SMILES | CACTVS | 3.370 | CC(C)(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N |