Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc4ccc(c1nc2c(cnc(C(=O)N)n2c1)NC3CCCNC3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | VUQDZGWRLHHYTB-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ncc(N[C@H]2CCCNC2)c3nc(cn13)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.370 | NC(=O)c1ncc(N[CH]2CCCNC2)c3nc(cn13)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)NC4CCCNC4)Cl |