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MBC

Summary
Name:2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
Synonyms:DB 293
Formula:C19 H16 N6 O
Formal charge:0
Formula weight:344.37 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-benzimidazole-5-carboximidamide
OpenEye OEToolkits1.5.02-[5-(4-carbamimidoylphenyl)furan-2-yl]-1H-benzimidazole-5-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(ccc(C(=[N@H])N)c1)nc2c3oc(cc3)c4ccc(C(=[N@H])N)cc4
SMILES_CANONICALCACTVS3.341NC(=N)c1ccc(cc1)c2oc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N
SMILESCACTVS3.341NC(=N)c1ccc(cc1)c2oc(cc2)c3[nH]c4ccc(cc4n3)C(N)=N
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N
SMILESOpenEye OEToolkits1.5.0[H]N=C(c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)C(=N[H])N)N
InChIInChI1.03InChI=1S/C19H16N6O/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25)
InChIKeyInChI1.03LXJNJISEUJIGFP-UHFFFAOYSA-N

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数据于2024-07-24公开中

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