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SummaryGeometryRelated PDB entries

BK4

Summary
Name:3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms:RM-1-87
Formula:C19 H19 N5 O
Formal charge:0
Formula weight:333.387 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
OpenEye OEToolkits1.7.23-(6-methoxynaphthalen-2-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)C(C)C)N
InChIInChI1.03InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
InChIKeyInChI1.03YTSDNPLOCDVGNB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34
SMILESCACTVS3.370COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34
SMILES_CANONICALOpenEye OEToolkits1.7.2CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N
SMILESOpenEye OEToolkits1.7.2CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N

219140

PDB entries from 2024-05-01

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