F4J

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Summary

Name:5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one
Formula:C13 H8 N6 O
Formal charge:0
Molecular weight:264.242 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(7H-purin-6-yl)amino]-1H-isoindol-1-one
OpenEye OEToolkits2.0.65-(7~{H}-purin-6-ylamino)isoindol-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c2c(C=N1)cc(cc2)Nc3c4ncnc4ncn3
InChIInChI1.03InChI=1S/C13H8N6O/c20-13-9-2-1-8(3-7(9)4-14-13)19-12-10-11(16-5-15-10)17-6-18-12/h1-6H,(H2,15,16,17,18,19)
InChIKeyInChI1.03PQHXLRLXDDKGGR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N=Cc2cc(Nc3ncnc4nc[nH]c34)ccc12
SMILESCACTVS3.385O=C1N=Cc2cc(Nc3ncnc4nc[nH]c34)ccc12
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O