Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26) |
InChIKey | InChI | 1.03 | JNPRPMBJODOFEC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nccc1Nc2nccc(n2)c3sc4c(c3)C(=O)N(CCN5CCOCC5)C4(C)C |
SMILES | CACTVS | 3.385 | Cn1nccc1Nc2nccc(n2)c3sc4c(c3)C(=O)N(CCN5CCOCC5)C4(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C |