Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13 |
SMILES | CACTVS | 3.341 | CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C |
InChI | InChI | 1.03 | InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19) |
InChIKey | InChI | 1.03 | KPDQZGKJTJRBGU-UHFFFAOYSA-N |