CHEBI:112923 - 2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:112923
ChEBI Name2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
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FormulaC20H20N4O3S2
Net Charge0
Average Mass428.539
Monoisotopic Mass428.09768
SMILESCCOC(=O)c1sc2nc(CSc3nc4ccccc4n3CC)nc(=O)c2c1C
InChIInChI=1S/C20H20N4O3S2/c1-4-24-13-9-7-6-8-12(13)21-20(24)28-10-14-22-17(25)15-11(3)16(19(26)27-5-2)29-18(15)23-14/h6-9H,4-5,10H2,1-3H3,(H,22,23,25)
InChIKeyKULSEJLQFGPWIP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:112923) is a organic heterobicyclic compound (CHEBI:27171)
2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:112923) is a organonitrogen heterocyclic compound (CHEBI:38101)
2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:112923) is a organosulfur heterocyclic compound (CHEBI:38106)
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