種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(ncc(c(n1)N)N3CCN(c2cc(c(Cl)cc2)Cl)CC3)N |
InChI | InChI | 1.03 | InChI=1S/C14H16Cl2N6/c15-10-2-1-9(7-11(10)16)21-3-5-22(6-4-21)12-8-19-14(18)20-13(12)17/h1-2,7-8H,3-6H2,(H4,17,18,19,20) |
InChIKey | InChI | 1.03 | YYBKNWXCJMWHIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(N2CCN(CC2)c3ccc(Cl)c(Cl)c3)c(N)n1 |
SMILES | CACTVS | 3.385 | Nc1ncc(N2CCN(CC2)c3ccc(Cl)c(Cl)c3)c(N)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl |