Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(/NC(\NC)=N)=C(/C)c1ccc3c(c1)c2cc(ccc2s3)\C(=N\N/C(NC)=N)C |
InChI | InChI | 1.03 | InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+ |
InChIKey | InChI | 1.03 | XCSSSGMWRCNFBK-KOZSXFMUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=N)N\N=C(/C)c1ccc2sc3ccc(cc3c2c1)\C(C)=N\NC(=N)NC |
SMILES | CACTVS | 3.385 | CNC(=N)NN=C(C)c1ccc2sc3ccc(cc3c2c1)C(C)=NNC(=N)NC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N/N=C(/c1cc2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC)/C)\C)/NC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=NNC(=N)NC)c1ccc2c(c1)c3cc(ccc3s2)C(=NNC(=N)NC)C |