Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc3ccc(OC2=Cc1c(nc(nc1)NC(CCO)CCO)N(C2=O)C)c(F)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc(F)cc3F |
SMILES | CACTVS | 3.341 | CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc(F)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F |
InChI | InChI | 1.03 | InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24) |
InChIKey | InChI | 1.03 | JYYLVUFNAHSSFE-UHFFFAOYSA-N |