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2CY

Summary
Name:5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
Formula:C17 H17 F N4 O2
Formal charge:0
Formula weight:328.341 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.025-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
OpenEye OEToolkits1.6.15-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Fc3cccc(OCCCOc2c1c(nc(nc1N)N)ccc2)c3
SMILES_CANONICALCACTVS3.352Nc1nc(N)c2c(OCCCOc3cccc(F)c3)cccc2n1
SMILESCACTVS3.352Nc1nc(N)c2c(OCCCOc3cccc(F)c3)cccc2n1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N
InChIInChI1.03InChI=1S/C17H17FN4O2/c18-11-4-1-5-12(10-11)23-8-3-9-24-14-7-2-6-13-15(14)16(19)22-17(20)21-13/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)
InChIKeyInChI1.03WYNJMQXBACXTGZ-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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