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AZ3

Summary
Name:4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
Formula:C21 H28 N4 O2
Formal charge:0
Formula weight:368.473 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
OpenEye OEToolkits1.7.64-[7-(4-carbamimidoylphenoxy)heptoxy]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c1ccc(cc1)C(=[N@H])N)CCCCCCCOc2ccc(C(=[N@H])N)cc2
InChIInChI1.03InChI=1S/C21H28N4O2/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,25)
InChIKeyInChI1.03IUJKKCRARYRWFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(N)=N)cc1
SMILESCACTVS3.370NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(N)=N)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1C(=N)N)OCCCCCCCOc2ccc(cc2)C(=N)N

219869

PDB entries from 2024-05-15

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