CHEBI:120871 - 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester
ChEBI ID CHEBI:120871
Stars This entity has been manually annotated by a third party.
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Formula C24H23N3O3S
Net Charge 0
Average Mass 433.525
Monoisotopic Mass 433.14601
InChI InChI=1S/C24H23N3O3S/c1-4-30-24(28)16(2)31-23-21-20(17-8-6-5-7-9-17)14-27(22(21)25-15-26-23)18-10-12-19(29-3)13-11-18/h5-16H,4H2,1-3H3
InChIKey OACRKUQJSHASPK-UHFFFAOYSA-N
SMILES CCOC(=O)C(C)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4
ChEBI Ontology
Outgoing 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester (CHEBI:120871) is a pyrroles (CHEBI:26455)
Manual Xref Database
LSM-32314 LINCS
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