AXE

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Summary

Name:6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine
Formula:C22 H21 N3 O2
Formal charge:0
Molecular weight:359.421 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H21N3O2/c1-14(16-10-6-8-15-7-4-5-9-17(15)16)25-22-18-11-20(26-2)21(27-3)12-19(18)23-13-24-22/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1
InChIKeyInChI1.03YREPTYNUQVYXCF-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385COc1cc2ncnc(N[C@H](C)c3cccc4ccccc34)c2cc1OC
SMILESCACTVS3.385COc1cc2ncnc(N[CH](C)c3cccc4ccccc34)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC
SMILESOpenEye OEToolkits2.0.6CC(c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC
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