Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C(NC2=O)=[C@H]c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10- |
InChIKey | InChI | 1.03 | UNRCMCRRFYFGFX-TYPNBTCFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1[nH]cnc1/C=C/2NC(=O)C(/NC/2=O)=C/c3ccccc3 |
SMILES | CACTVS | 3.385 | CC(C)(C)c1[nH]cnc1C=C2NC(=O)C(NC2=O)=Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)c1c(nc[nH]1)C=C2C(=O)NC(=Cc3ccccc3)C(=O)N2 |