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BPF

Summary
Name:N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
Synonyms:DB185
FURAMIDINE DERIVATIVE
Formula:C22 H26 N4 O
Formal charge:2
Formula weight:362.468 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
OpenEye OEToolkits1.7.6(Z)-[azanyl-[4-[5-[4-[(Z)-azanyl(ethylazaniumylidene)methyl]phenyl]furan-2-yl]phenyl]methylidene]-ethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01o1c(ccc1c2ccc(/C(=[NH+]/CC)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3
InChIInChI1.03InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)/p+2
InChIKeyInChI1.03UDRBFQQQLONWPG-UHFFFAOYSA-P
SMILES_CANONICALCACTVS3.370CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH+]CC
SMILESCACTVS3.370CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)C(N)=[NH+]CC
SMILES_CANONICALOpenEye OEToolkits1.7.6CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N
SMILESOpenEye OEToolkits1.7.6CC[NH+]=C(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(=[NH+]CC)N)N

222415

數據於2024-07-10公開中

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