Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2cc(C(=O)N)c(NCc1cnc(nc1)N)cc2N3CCOCC3 |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(c(cc1NCc2cnc(N)nc2)N3CCOCC3)[N+]([O-])=O |
SMILES | CACTVS | 3.370 | NC(=O)c1cc(c(cc1NCc2cnc(N)nc2)N3CCOCC3)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C16H19N7O4/c17-15(24)11-5-14(23(25)26)13(22-1-3-27-4-2-22)6-12(11)19-7-10-8-20-16(18)21-9-10/h5-6,8-9,19H,1-4,7H2,(H2,17,24)(H2,18,20,21) |
InChIKey | InChI | 1.03 | HIONZGBUTNQAJK-UHFFFAOYSA-N |