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UEN

Summary
Name:N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula:C18 H20 F N5
Formal charge:0
Formula weight:325.383 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~4~-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
OpenEye OEToolkits1.7.6N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc4ccc(c3c1c(nc(nc1NC2CCCCC2)N)nc3)cc4
InChIInChI1.03InChI=1S/C18H20FN5/c19-12-8-6-11(7-9-12)14-10-21-16-15(14)17(24-18(20)23-16)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H4,20,21,22,23,24)
InChIKeyInChI1.03QQJUCGSYNBAQMI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC4)n1
SMILESCACTVS3.385Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC4)n1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F

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數據於2024-07-24公開中

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