CHEBI:111428 - N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide

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ChEBI Name N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide
ChEBI ID CHEBI:111428
Stars This entity has been manually annotated by a third party.
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Formula C21H17N3O4S3
Net Charge 0
Average Mass 471.576
Monoisotopic Mass 471.03812
InChI InChI=1S/C21H17N3O4S3/c1-24-20(26)18-13(16-3-2-6-29-16)9-30-19(18)23-21(24)31-10-17(25)22-8-12-4-5-14-15(7-12)28-11-27-14/h2-7,9H,8,10-11H2,1H3,(H,22,25)
InChIKey SOUBHHITTGQVPZ-UHFFFAOYSA-N
SMILES CN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5
ChEBI Ontology
Outgoing N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide (CHEBI:111428) is a ring assembly (CHEBI:36820)
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide (CHEBI:111428) is a thiophenes (CHEBI:26961)
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