Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c3cnc1cc(c(nc1c3Nc2ccccc2C(C)(C)C)OC)c4c(onc4C)C |
InChI | InChI | 1.03 | InChI=1S/C25H26N4O4/c1-13-20(14(2)33-29-13)15-11-19-22(28-23(15)32-6)21(16(12-26-19)24(30)31)27-18-10-8-7-9-17(18)25(3,4)5/h7-12H,1-6H3,(H,26,27)(H,30,31) |
InChIKey | InChI | 1.03 | QUTQSJXZMOFFDU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1nc2c(Nc3ccccc3C(C)(C)C)c(cnc2cc1c4c(C)onc4C)C(O)=O |
SMILES | CACTVS | 3.385 | COc1nc2c(Nc3ccccc3C(C)(C)C)c(cnc2cc1c4c(C)onc4C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC |