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Z23

Summary
Name:DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE
Synonyms:ZK-805623
Formula:C20 H19 F2 N5 O2
Formal charge:2
Formula weight:399.394 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(3,5-difluoro-4-methylpyridine-2,6-diyl)bis(oxybenzene-3,1-diyl)]bis(aminomethaniminium)
OpenEye OEToolkits1.5.0[amino-[3-[6-[3-(amino-azaniumylidene-methyl)phenoxy]-3,5-difluoro-4-methyl-pyridin-2-yl]oxyphenyl]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc3c(Oc1cc(C(=[NH2+])\N)ccc1)nc(Oc2cccc(C(=[NH2+])\N)c2)c(F)c3C
SMILES_CANONICALCACTVS3.341Cc1c(F)c(Oc2cccc(c2)C(N)=[NH2+])nc(Oc3cccc(c3)C(N)=[NH2+])c1F
SMILESCACTVS3.341Cc1c(F)c(Oc2cccc(c2)C(N)=[NH2+])nc(Oc3cccc(c3)C(N)=[NH2+])c1F
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F
SMILESOpenEye OEToolkits1.5.0Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F
InChIInChI1.03InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+2
InChIKeyInChI1.03ZXIHYCYAQUQHSG-UHFFFAOYSA-P

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PDB entries from 2024-08-07

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