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E3Z

Summary
Name:~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide
Formula:C19 H16 Cl N5 O
Formal charge:0
Formula weight:365.816 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H16ClN5O/c1-2-17(26)22-14-9-6-10-15(11-14)23-18-16(20)12-21-19(25-18)24-13-7-4-3-5-8-13/h2-12H,1H2,(H,22,26)(H2,21,23,24,25)
InChIKeyInChI1.03SLKFAKHADUAFCQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cnc(Nc2ccccc2)nc1Nc3cccc(NC(=O)C=C)c3
SMILESCACTVS3.385Clc1cnc(Nc2ccccc2)nc1Nc3cccc(NC(=O)C=C)c3
SMILES_CANONICALOpenEye OEToolkits2.0.6C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl
SMILESOpenEye OEToolkits2.0.6C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl

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건을2024-07-17부터공개중

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