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

ChEBI IDCHEBI:143544
ChEBI Nameethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Stars
DefinitionA 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.
Last Modified25 April 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H16N2O3S
Net Charge0
Average Mass292.360
Monoisotopic Mass292.08816
SMILESCCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1
InChIInChI=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)
InChIKeyLOBCDGHHHHGHFA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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