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JU2

Summary
Name:2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:C7 H4 Br N5 O
Formal charge:0
Formula weight:254.044 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
OpenEye OEToolkits1.5.02-amino-6-bromo-4-oxo-3,7-dihydropyrrolo[5,4-d]pyrimidine-5-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#Cc1c(Br)nc2N=C(NC(=O)c12)N
SMILES_CANONICALCACTVS3.341NC1=Nc2[nH]c(Br)c(C#N)c2C(=O)N1
SMILESCACTVS3.341NC1=Nc2[nH]c(Br)c(C#N)c2C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N
SMILESOpenEye OEToolkits1.5.0C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N
InChIInChI1.03InChI=1S/C7H4BrN5O/c8-4-2(1-9)3-5(11-4)12-7(10)13-6(3)14/h(H4,10,11,12,13,14)
InChIKeyInChI1.03ZIMIZZXLWCGECW-UHFFFAOYSA-N

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PDB entries from 2024-03-27

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