Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I |
InChI | InChI | 1.03 | InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) |
InChIKey | InChI | 1.03 | RFWVETIZUQEJEF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F |
SMILES | CACTVS | 3.385 | OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO |