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94M

Summary
Name:6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
Synonyms:BIIB021
Formula:C14 H15 Cl N6 O
Formal charge:0
Formula weight:318.762 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
OpenEye OEToolkits1.7.06-chloro-9-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]purin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N
SMILES_CANONICALCACTVS3.370COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
SMILESCACTVS3.370COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N
SMILESOpenEye OEToolkits1.7.0Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N
InChIInChI1.03InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyInChI1.03QULDDKSCVCJTPV-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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