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EEI

Summary
Name:5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
Formula:C19 H19 N5 S
Formal charge:0
Formula weight:349.453 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H19N5S/c1-13-9-14(2)24-10-16(21-18(24)20-13)12-25-19-22-17(11-23(19)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyInChI1.06PHRXKMLPVHCGBS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(nc1SCc2cn3c(C)cc(C)nc3n2)c4ccccc4
SMILESCACTVS3.385Cn1cc(nc1SCc2cn3c(C)cc(C)nc3n2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(n2cc(nc2n1)CSc3nc(cn3C)c4ccccc4)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(n2cc(nc2n1)CSc3nc(cn3C)c4ccccc4)C

223166

PDB entries from 2024-07-31

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