CHEBI:143544 - ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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ChEBI Name ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ChEBI ID CHEBI:143544
Definition A member of the class of thioureas that is 3,4-dihydropyrimidine-2(1)-thione substituted by a 3-hydroxyphenyl group at position 4, an ethoxycarbonyl group at position 5, and a methyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H16N2O3S
Net Charge 0
Average Mass 292.350
Monoisotopic Mass 292.08816
InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)
InChIKey LOBCDGHHHHGHFA-UHFFFAOYSA-N
SMILES O=C(C=1C(C=2C=C(C=CC2)O)NC(NC1C)=S)OCC
ChEBI Ontology
Outgoing ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:143544) is a enoate ester (CHEBI:51702)
ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:143544) is a ethyl ester (CHEBI:23990)
ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:143544) is a phenols (CHEBI:33853)
ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:143544) is a thioureas (CHEBI:51276)
Incoming (R)-monastrol (CHEBI:75383) is a ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:143544)
(S)-monastrol (CHEBI:75384) is a ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:143544)
IUPAC Name
ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Last Modified
25 April 2019
General Comment
2019-04-25 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-monastrol and (S)-monastrol] and for the racemate (monastrol).