Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3Nc2cnc1cc(c(OC)cc1c2N3C(c4ncccc4)C)c5c(onc5C)C |
InChI | InChI | 1.03 | InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | VUVUVNZRUGEAHB-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(cc1c3c(C)onc3C)ncc4NC(=O)N([C@H](C)c5ccccn5)c24 |
SMILES | CACTVS | 3.385 | COc1cc2c(cc1c3c(C)onc3C)ncc4NC(=O)N([CH](C)c5ccccn5)c24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4C(C)c5ccccn5 |