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CHEBI:107502 - 4-[5-(3-chlorophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester

ChEBI IDCHEBI:107502
ChEBI Name4-[5-(3-chlorophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC17H15ClN2O3S
Net Charge0
Average Mass362.838
Monoisotopic Mass362.04919
SMILESCOC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H15ClN2O3S/c1-9-14(16(21)22-2)15(20-17(24)19-9)13-7-6-12(23-13)10-4-3-5-11(18)8-10/h3-8,15H,1-2H3,(H2,19,20,24)
InChIKeyCMYAZMXYVDLQHR-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-chlorophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester (CHEBI:107502) is a pyrimidinecarboxylic acid (CHEBI:78574)
Manual XrefsDatabases
LSM-18857LINCS