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CHEBI:75355 - ethyl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

ChEBI IDCHEBI:75355
ChEBI Nameethyl 4-(3-methoxyphenyl)-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(1H)-thione substituted by a 3-methoxyphenyl group at position 4, a methyl group at position 6 and a ethoxycarbonyl group at position 5.
Last Modified25 February 2016
Submitternamrata
DownloadsMolfile
FormulaC15H18N2O3S
Net Charge0
Average Mass306.387
Monoisotopic Mass306.10381
SMILESCCOC(=O)C1=C(C)NC(=S)NC1c1cccc(OC)c1
InChIInChI=1S/C15H18N2O3S/c1-4-20-14(18)12-9(2)16-15(21)17-13(12)10-6-5-7-11(8-10)19-3/h5-8,13H,4H2,1-3H3,(H2,16,17,21)
InChIKeyIHZDCGSHXDMDGU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:75355) is a aromatic ether (CHEBI:35618)
ethyl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:75355) is a ethyl ester (CHEBI:23990)
ethyl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:75355) is a pyrimidinecarboxylate ester (CHEBI:48451)
ethyl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CHEBI:75355) is a thioureas (CHEBI:51276)
IUPAC Name 
ethyl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Manual XrefsDatabases
LSM-6725LINCS
Registry NumbersSources
Reaxys:8703061Reaxys