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K6B

Summary
Name:7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide
Formula:C14 H12 N4 S
Formal charge:0
Formula weight:268.337 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17)
InChIKeyInChI1.03WHHUOSQZAXTKQL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=N)c1sc2c(cccc2c3cccc(N)n3)c1
SMILESCACTVS3.385NC(=N)c1sc2c(cccc2c3cccc(N)n3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)\N
SMILESOpenEye OEToolkits2.0.7c1cc2cc(sc2c(c1)c3cccc(n3)N)C(=N)N

222415

数据于2024-07-10公开中

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