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D23

Summary
Name:6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE
Synonyms:DIN-234325
Formula:C19 H19 F3 N4
Formal charge:0
Formula weight:360.376 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
OpenEye OEToolkits1.5.06-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c3nc1c(cc(cc1)c2cccc(N)c2)c(n3)NC(C)(C)C
SMILES_CANONICALCACTVS3.341CC(C)(C)Nc1nc(nc2ccc(cc12)c3cccc(N)c3)C(F)(F)F
SMILESCACTVS3.341CC(C)(C)Nc1nc(nc2ccc(cc12)c3cccc(N)c3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N
SMILESOpenEye OEToolkits1.5.0CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N
InChIInChI1.03InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26)
InChIKeyInChI1.03XQKJVNGGVLHNLA-UHFFFAOYSA-N

218853

数据于2024-04-24公开中

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