Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H21N5O3/c1-18(2,3)23-15-12(8-19-23)16(24)21-17(20-15)22(4)9-11-5-6-13-14(7-11)26-10-25-13/h5-8H,9-10H2,1-4H3,(H,20,21,24) |
InChIKey | InChI | 1.06 | HNJXZNHWBQNLOM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc2OCOc2c1)C3=Nc4n(ncc4C(=O)N3)C(C)(C)C |
SMILES | CACTVS | 3.385 | CN(Cc1ccc2OCOc2c1)C3=Nc4n(ncc4C(=O)N3)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)n1c2c(cn1)C(=O)NC(=N2)N(C)Cc3ccc4c(c3)OCO4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)n1c2c(cn1)C(=O)NC(=N2)N(C)Cc3ccc4c(c3)OCO4 |