Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)n(nc2c4cc3cccnc3cc4)C(C)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)n1nc(c2ccc3ncccc3c2)c4c(N)ncnc14 |
SMILES | CACTVS | 3.341 | CC(C)n1nc(c2ccc3ncccc3c2)c4c(N)ncnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N |
InChI | InChI | 1.03 | InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21) |
InChIKey | InChI | 1.03 | GEZALMMCQYDFML-UHFFFAOYSA-N |