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CHEBI:37105 - 2-aminopteridin-4(1H)-one

Default Structure
ChEBI IDCHEBI:37105
ChEBI Name2-aminopteridin-4(1H)-one
Stars
ASCII Name2-aminopteridin-4(1H)-one
Last Modified20 November 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H5N5O
Net Charge0
Average Mass163.140
Monoisotopic Mass163.04941
SMILESNc1nc(=O)c2nccnc2n1
InChIInChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKeyHNXQXTQTPAJEJL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-aminopteridin-4(1H)-one (CHEBI:37105) is a pterin (CHEBI:26374)
2-aminopteridin-4(1H)-one (CHEBI:37105) is tautomer of 2-aminopteridin-4-ol (CHEBI:18265)
2-aminopteridin-4(1H)-one (CHEBI:37105) is tautomer of 2-aminopteridin-4(3H)-one (CHEBI:44992)
Incoming Relation(s)
2-aminopteridin-4-ol (CHEBI:18265) is tautomer of 2-aminopteridin-4(1H)-one (CHEBI:37105)
2-aminopteridin-4(3H)-one (CHEBI:44992) is tautomer of 2-aminopteridin-4(1H)-one (CHEBI:37105)
IUPAC Name 
2-aminopteridin-4(1H)-one
Synonyms  Source
2-amino-1H-pteridin-4-oneChemIDplus
2-amino-4(1H)-pteridinoneChemIDplus
Registry NumbersSources
Beilstein:976851Beilstein
CAS:2236-60-4ChemIDplus