CHEBI:120974 - 3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester

ChEBI IDCHEBI:120974
ChEBI Name3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester
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FormulaC16H20N2O3S
Net Charge0
Average Mass320.414
Monoisotopic Mass320.11946
SMILESCCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC(C)CC3
InChIInChI=1S/C16H20N2O3S/c1-4-21-16(20)13-10(3)12-14(22-13)17-11-6-5-9(2)7-8-18(11)15(12)19/h9H,4-8H2,1-3H3
InChIKeyYMDMAOJFSHFBBN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester (CHEBI:120974) is a organic heterobicyclic compound (CHEBI:27171)
3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester (CHEBI:120974) is a organonitrogen heterocyclic compound (CHEBI:38101)
3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester (CHEBI:120974) is a organosulfur heterocyclic compound (CHEBI:38106)
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