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SummaryGeometryRelated PDB entries

A1H90

Summary
Name:N-[2,4-bis(chloranyl)-5-methoxy-phenyl]-7-[2-(diethylamino)ethoxy]-6-methoxy-quinazolin-4-amine
Formula:C22 H26 Cl2 N4 O3
Formal charge:0
Formula weight:465.373 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[2,4-bis(chloranyl)-5-methoxy-phenyl]-7-[2-(diethylamino)ethoxy]-6-methoxy-quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H26Cl2N4O3/c1-5-28(6-2)7-8-31-21-11-17-14(9-20(21)30-4)22(26-13-25-17)27-18-12-19(29-3)16(24)10-15(18)23/h9-13H,5-8H2,1-4H3,(H,25,26,27)
InChIKeyInChI1.06YEUBZDYIRNCXGP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)CCOc1cc2ncnc(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC
SMILESCACTVS3.385CCN(CC)CCOc1cc2ncnc(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)CCOc1cc2c(cc1OC)c(ncn2)Nc3cc(c(cc3Cl)Cl)OC
SMILESOpenEye OEToolkits2.0.7CCN(CC)CCOc1cc2c(cc1OC)c(ncn2)Nc3cc(c(cc3Cl)Cl)OC

250835

PDB entries from 2026-03-18

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