Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4c3ccccc3ccc4)C(C)(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22) |
InChIKey | InChI | 1.03 | XSHQBIXMLULFEV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)n1nc(c2cccc3ccccc23)c4c(N)ncnc14 |
SMILES | CACTVS | 3.370 | CC(C)(C)n1nc(c2cccc3ccccc23)c4c(N)ncnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N |