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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-[5-(3-chlorophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester ChEBI ID CHEBI:107502 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H15ClN2O3S Net Charge 0 Average Mass 362.832 Monoisotopic Mass 362.04919 InChI InChI=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) InChIKey CMYAZMXYVDLQHR-UHFFFAOYSA-N SMILES CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC(=CC=C3)Cl)C(=O)OC 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-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 Xref Database LSM-18857 LINCS View more database links