2KA

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Summary

Name:2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Formula:C7 H6 N4 O3
Formal charge:0
Molecular weight:194.148 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
OpenEye OEToolkits1.7.62-azanyl-4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cnc2N=C(N)NC(=O)c12
InChIInChI1.03InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)
InChIKeyInChI1.03XIUIRSLBMMTDSK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC1=Nc2[nH]cc(C(O)=O)c2C(=O)N1
SMILESCACTVS3.385NC1=Nc2[nH]cc(C(O)=O)c2C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O