Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C |
InChI | InChI | 1.03 | InChI=1S/C13H13N5O2/c1-13(2)17-11(19)9-4-3-8(12(20)18(9)13)16-10-5-6-14-7-15-10/h3-7H,1-2H3,(H,17,19)(H,14,15,16) |
InChIKey | InChI | 1.03 | YUDKTFUCCPOVGR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)NC(=O)C2=CC=C(Nc3ccncn3)C(=O)N12 |
SMILES | CACTVS | 3.385 | CC1(C)NC(=O)C2=CC=C(Nc3ccncn3)C(=O)N12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C |