Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)CCOc1nccc(c1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C |
InChI | InChI | 1.06 | InChI=1S/C28H34N6O3S/c1-18(2)26(21-8-7-19-6-5-13-38(35,36)24(19)14-21)33-28-22-16-23(32-27(22)30-17-31-28)20-9-10-29-25(15-20)37-12-11-34(3)4/h7-10,14-18,26H,5-6,11-13H2,1-4H3,(H2,30,31,32,33)/t26-/m1/s1 |
InChIKey | InChI | 1.06 | VPBOWMQFQZZIDC-AREMUKBSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](Nc1ncnc2[nH]c(cc12)c3ccnc(OCCN(C)C)c3)c4ccc5CCC[S](=O)(=O)c5c4 |
SMILES | CACTVS | 3.385 | CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3ccnc(OCCN(C)C)c3)c4ccc5CCC[S](=O)(=O)c5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5ccnc(c5)OCCN(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5ccnc(c5)OCCN(C)C |