Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12 |
InChI | InChI | 1.03 | InChI=1S/C15H13FN4O3/c16-8-1-2-9-10(5-8)19-13-12(9)14(18-7-17-13)20-3-4-23-11(6-20)15(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)(H,17,18,19)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | LNMHSQWGJNVQMD-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCO[C@H](C4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCOC(C4)C(=O)O |