Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cccnc2NCc1ccncc1)Nc4ccc(Oc3ccccc3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C(Nc1ccc(Oc2ccccc2)cc1)c3cccnc3NCc4ccncc4 |
SMILES | CACTVS | 3.341 | O=C(Nc1ccc(Oc2ccccc2)cc1)c3cccnc3NCc4ccncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4 |
InChI | InChI | 1.03 | InChI=1S/C24H20N4O2/c29-24(22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18)28-19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-16H,17H2,(H,26,27)(H,28,29) |
InChIKey | InChI | 1.03 | CPVRYQAOUPSUDO-UHFFFAOYSA-N |