Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H17N5O2/c1-25-11-14(13-8-9-22-18(13)20(25)27)12-6-7-17(23-10-12)19(26)24-16-5-3-2-4-15(16)21/h2-11,22H,21H2,1H3,(H,24,26) |
InChIKey | InChI | 1.06 | AGOAHNRRDZMCMM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(c2ccc(nc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O |
SMILES | CACTVS | 3.385 | CN1C=C(c2ccc(nc2)C(=O)Nc3ccccc3N)c4cc[nH]c4C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4ccccc4N |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4ccccc4N |