Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)c1cc4c(nc1N)nc(nc4N3CCN(c2ncccn2)CC3)C(C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1nc2nc(N)c(cc2c(n1)N3CCN(CC3)c4ncccn4)C(N)=O |
SMILES | CACTVS | 3.341 | CC(C)(C)c1nc2nc(N)c(cc2c(n1)N3CCN(CC3)c4ncccn4)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4 |
InChI | InChI | 1.03 | InChI=1S/C20H25N9O/c1-20(2,3)18-26-16-13(11-12(15(22)30)14(21)25-16)17(27-18)28-7-9-29(10-8-28)19-23-5-4-6-24-19/h4-6,11H,7-10H2,1-3H3,(H2,22,30)(H2,21,25,26,27) |
InChIKey | InChI | 1.03 | CKLCIJCZOIDJQU-UHFFFAOYSA-N |