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CHEBI:105902 - 4-[5-(3-chloro-2-methylphenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester

ChEBI IDCHEBI:105902
ChEBI Name4-[5-(3-chloro-2-methylphenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC19H19ClN2O3S
Net Charge0
Average Mass390.892
Monoisotopic Mass390.08049
SMILESCCOC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C19H19ClN2O3S/c1-4-24-18(23)16-11(3)21-19(26)22-17(16)15-9-8-14(25-15)12-6-5-7-13(20)10(12)2/h5-9,17H,4H2,1-3H3,(H2,21,22,26)
InChIKeyYBOLUDTXMSDTRI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[5-(3-chloro-2-methylphenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester (CHEBI:105902) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual XrefsDatabases
LSM-17263LINCS