Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22) |
InChIKey | InChI | 1.03 | AQTNUGRRZDRZIA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |
SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O |