Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on4)=O |
InChI | InChI | 1.03 | InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24) |
InChIKey | InChI | 1.03 | BKMWCTDITJZRHD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1 |
SMILES | CACTVS | 3.385 | Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3 |