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SummaryGeometryRelated PDB entries

PP1

Summary
Name:1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Formula:C16 H19 N5
Formal charge:0
Formula weight:281.356 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
OpenEye OEToolkits1.5.01-tert-butyl-3-(4-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(c2c(nc1)n(nc2c3ccc(cc3)C)C(C)(C)C)N
SMILES_CANONICALCACTVS3.341Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C
SMILESCACTVS3.341Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N
InChIInChI1.03InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
InChIKeyInChI1.03ZVPDNRVYHLRXLX-UHFFFAOYSA-N

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PDB entries from 2026-02-04

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