Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c5ccc(OCc4ccccc4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C26H20N4O3/c31-26(32)22-14-24(20-6-8-21(9-7-20)33-17-19-4-2-1-3-5-19)29-25-23(22)15-28-30(25)16-18-10-12-27-13-11-18/h1-15H,16-17H2,(H,31,32) |
InChIKey | InChI | 1.03 | LEKPQTJLNDALBT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccc(OCc5ccccc5)cc4 |
SMILES | CACTVS | 3.370 | OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccc(OCc5ccccc5)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O |