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RKH

Summary
Name:4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
Formula:C14 H13 N3 O
Formal charge:0
Formula weight:239.273 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17)
InChIKeyInChI1.03BMBIGEJCNXQYPN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3
SMILESCACTVS3.385Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N
SMILESOpenEye OEToolkits2.0.7Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N

222415

数据于2024-07-10公开中

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