CHEBI:107163 - 4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
ChEBI ID CHEBI:107163
Stars This entity has been manually annotated by a third party.
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Formula C23H24ClN3O5
Net Charge 0
Average Mass 457.908
Monoisotopic Mass 457.14045
InChI InChI=1S/C23H24ClN3O5/c1-2-30-22(28)20-17(12-25-10-9-14-3-6-16(24)7-4-14)26-23(29)27-21(20)15-5-8-18-19(11-15)32-13-31-18/h3-8,11,21,25H,2,9-10,12-13H2,1H3,(H2,26,27,29)
InChIKey UNBPZNCRXJCBKB-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNCCC4=CC=C(C=C4)Cl
ChEBI Ontology
Outgoing 4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester (CHEBI:107163) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-18517 LINCS
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