Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12nnc(c1ncc(n2)N3CCC(CC3)(C)N)c4cccc(c4Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24) |
InChIKey | InChI | 1.03 | AMADCPJVPLUGQO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c4Cl)n2 |
SMILES | CACTVS | 3.385 | CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c4Cl)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N |