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EIK

Summary
Name:5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
Formula:C19 H20 N6
Formal charge:0
Formula weight:332.402 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H20N6/c1-13-11-20-14(2)19-22-17(23-25(13)19)9-10-18-21-16(12-24(18)3)15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3
InChIKeyInChI1.06NBKCQLCLNHGTJU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)c4ccccc4
SMILESCACTVS3.385Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cnc(c2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C
SMILESOpenEye OEToolkits2.0.7Cc1cnc(c2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C

222415

PDB entries from 2024-07-10

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