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EKF

Summary
Name:N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Formula:C23 H24 N6 O
Formal charge:0
Formula weight:400.476 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H24N6O/c1-28(2)14-16-6-8-17(9-7-16)20-13-25-23(29-15-26-27-22(20)29)24-12-18-4-3-5-21-19(18)10-11-30-21/h3-9,13,15H,10-12,14H2,1-2H3,(H,24,25)
InChIKeyInChI1.03KCSVXFVJXLVYFS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25
SMILESCACTVS3.385CN(C)Cc1ccc(cc1)c2cnc(NCc3cccc4OCCc34)n5cnnc25
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5
SMILESOpenEye OEToolkits2.0.7CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5

222415

건을2024-07-10부터공개중

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