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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[5-(3-chloro-2-methylphenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
ChEBI ID CHEBI:105902
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H19ClN2O3S
Net Charge 0
Average Mass 390.886
Monoisotopic Mass 390.08049
InChI InChI=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)
InChIKey YBOLUDTXMSDTRI-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(O2)C3=C(C(=CC=C3)Cl)C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
LSM-17263 LINCS
View more database links