B2

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Summary

Name:(2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE
Formula:C12 H10 F N3 S
Formal charge:0
Molecular weight:247.291 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
OpenEye OEToolkits1.5.0(2R)-5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc3c1c(NC(N=C1N)c2sccc2)ccc3
SMILES_CANONICALCACTVS3.341NC1=N[C@@H](Nc2cccc(F)c12)c3sccc3
SMILESCACTVS3.341NC1=N[CH](Nc2cccc(F)c12)c3sccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N
SMILESOpenEye OEToolkits1.5.0c1cc2c(c(c1)F)C(=NC(N2)c3cccs3)N
InChIInChI1.03InChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16)/t12-/m1/s1
InChIKeyInChI1.03OGKZGPSVQKXXOY-GFCCVEGCSA-N