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SummaryGeometryRelated PDB entries

6U7

Summary
Name:6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine
Formula:C23 H21 N3 O3
Formal charge:0
Formula weight:387.431 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.56,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
InChIKeyInChI1.03PEKZLFZZBGBOPJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
SMILESCACTVS3.385COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4
SMILESOpenEye OEToolkits2.0.5Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4

222415

PDB entries from 2024-07-10

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