種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n1c(nc(nc1N(C)C)N)CN2CC(CC(C2)C)C |
InChI | InChI | 1.03 | InChI=1S/C13H24N6/c1-9-5-10(2)7-19(6-9)8-11-15-12(14)17-13(16-11)18(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)/t9-,10+ |
InChIKey | InChI | 1.03 | XCUJQKCZUHQRMB-AOOOYVTPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@@H](C)CN(C1)Cc2nc(N)nc(n2)N(C)C |
SMILES | CACTVS | 3.385 | C[CH]1C[CH](C)CN(C1)Cc2nc(N)nc(n2)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1CC(CN(C1)Cc2nc(nc(n2)N(C)C)N)C |