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SummaryGeometryRelated PDB entries

CK8

Summary
Name:N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Formula:C17 H19 N5 S
Formal charge:0
Formula weight:325.431 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N'-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
OpenEye OEToolkits1.5.0N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c(c1sc(nc1C)C)ccnc2Nc3ccc(N(C)C)cc3
SMILES_CANONICALCACTVS3.341CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1
SMILESCACTVS3.341CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C
SMILESOpenEye OEToolkits1.5.0Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C
InChIInChI1.03InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
InChIKeyInChI1.03FGGSNQOBRJVAKL-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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