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0J9

Summary
Name:1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C19 H19 N5
Formal charge:0
Formula weight:317.388 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
OpenEye OEToolkits1.7.61-tert-butyl-3-naphthalen-1-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c2c(nc1)n(nc2c4c3ccccc3ccc4)C(C)(C)C)N
InChIInChI1.03InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
InChIKeyInChI1.03XSHQBIXMLULFEV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(C)(C)n1nc(c2cccc3ccccc23)c4c(N)ncnc14
SMILESCACTVS3.370CC(C)(C)n1nc(c2cccc3ccccc23)c4c(N)ncnc14
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N
SMILESOpenEye OEToolkits1.7.6CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N

224931

PDB entries from 2024-09-11

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