種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | S(C(=[N@H])NC(=[N@H])N)Cc1cc(c(cc1C)CSC(=[N@H])NC(=[N@H])N)C |
InChI | InChI | 1.03 | InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) |
InChIKey | InChI | 1.03 | UQMGTQSCMRRWFV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)=N |
SMILES | CACTVS | 3.370 | Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | [H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc(c(cc1CSC(=N)NC(=N)N)C)CSC(=N)NC(=N)N |