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65N

Summary
Name:N~6~-methyl-N~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
Formula:C15 H13 F3 N6 O
Formal charge:0
Formula weight:350.299 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~6~-methyl-N~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
OpenEye OEToolkits2.0.4~{N}6-methyl-~{N}6-[4-(trifluoromethyloxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c13nc(nc(c1nc(N(c2ccc(OC(F)(F)F)cc2)C)cc3)N)N
InChIInChI1.03InChI=1S/C15H13F3N6O/c1-24(8-2-4-9(5-3-8)25-15(16,17)18)11-7-6-10-12(22-11)13(19)23-14(20)21-10/h2-7H,1H3,(H4,19,20,21,23)
InChIKeyInChI1.03JEGBSKQTMYWCPV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(c1ccc(OC(F)(F)F)cc1)c2ccc3nc(N)nc(N)c3n2
SMILESCACTVS3.385CN(c1ccc(OC(F)(F)F)cc1)c2ccc3nc(N)nc(N)c3n2
SMILES_CANONICALOpenEye OEToolkits2.0.4CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N
SMILESOpenEye OEToolkits2.0.4CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N

223166

數據於2024-07-31公開中

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