CHEBI:121902 - 4-[[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester

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ChEBI Name 4-[[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:121902
Stars This entity has been manually annotated by a third party.
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Formula C17H21N3O5S3
Net Charge 0
Average Mass 443.565
Monoisotopic Mass 443.06433
InChI InChI=1S/C17H21N3O5S3/c1-4-25-17(22)14-9(2)13-15(18-10(3)19-16(13)27-14)26-7-12(21)20-11-5-6-28(23,24)8-11/h11H,4-8H2,1-3H3,(H,20,21)
InChIKey DDKHDACZNQQLTQ-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)NC3CCS(=O)(=O)C3)C)C
ChEBI Ontology
Outgoing 4-[[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:121902) is a organic heterobicyclic compound (CHEBI:27171)
4-[[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:121902) is a organonitrogen heterocyclic compound (CHEBI:38101)
4-[[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:121902) is a organosulfur heterocyclic compound (CHEBI:38106)
4-[[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester (CHEBI:121902) is a thienopyrimidine (CHEBI:143212)
Manual Xref Database
LSM-33345 LINCS
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Last Modified
06 March 2019