Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1ccc(nc1NC)c6cccnc6Oc3c2c(cccc2)c(cc3C)Nc5nc4ccccc4n5 |
SMILES_CANONICAL | CACTVS | 3.341 | CNc1nccc(n1)c2cccnc2Oc3c(C)cc(Nc4[nH]c5ccccc5n4)c6ccccc36 |
SMILES | CACTVS | 3.341 | CNc1nccc(n1)c2cccnc2Oc3c(C)cc(Nc4[nH]c5ccccc5n4)c6ccccc36 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5 |
InChI | InChI | 1.03 | InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35) |
InChIKey | InChI | 1.03 | JXKDTYDBDDKIPY-UHFFFAOYSA-N |