CHEBI:109745 - 2,5-dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester

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ChEBI Name 2,5-dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:109745
Stars This entity has been manually annotated by a third party.
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Formula C23H27N3O3S2
Net Charge 0
Average Mass 457.612
Monoisotopic Mass 457.14938
InChI InChI=1S/C23H27N3O3S2/c1-5-29-23(28)20-15(3)19-21(25-16(4)26-22(19)31-20)30-13-18(27)24-14(2)11-12-17-9-7-6-8-10-17/h6-10,14H,5,11-13H2,1-4H3,(H,24,27)
InChIKey YZXJKUSVBRYWQK-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)NC(C)CCC3=CC=CC=C3)C)C
ChEBI Ontology
Outgoing 2,5-dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:109745) is a organic heterobicyclic compound (CHEBI:27171)
2,5-dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:109745) is a organonitrogen heterocyclic compound (CHEBI:38101)
2,5-dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:109745) is a organosulfur heterocyclic compound (CHEBI:38106)
2,5-dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:109745) is a thienopyrimidine (CHEBI:143212)
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Last Modified
06 March 2019