0N5

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Summary

Name:N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
Formula:C22 H18 N4 O3
Formal charge:0
Molecular weight:386.403 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
OpenEye OEToolkits1.7.6N-[4-[(6-methoxy-7-oxidanyl-quinazolin-4-yl)amino]phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccccc1)Nc2ccc(cc2)Nc4ncnc3c4cc(OC)c(O)c3
InChIInChI1.03InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
InChIKeyInChI1.03FRAOYGZBTRQIIP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
SMILESCACTVS3.370COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
SMILESOpenEye OEToolkits1.7.6COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
171916
PDB entries from 2020-12-02