CHEBI:108928 - 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-chlorophenyl)sulfonyl-2-propenenitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-chlorophenyl)sulfonyl-2-propenenitrile
ChEBI ID CHEBI:108928
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H17Cl2N3O4S
Net Charge 0
Average Mass 526.393
Monoisotopic Mass 525.03168
InChI InChI=1S/C25H17Cl2N3O4S/c1-15-4-3-11-30-23(15)29-24(34-18-7-10-22(27)16(2)12-18)21(25(30)31)13-20(14-28)35(32,33)19-8-5-17(26)6-9-19/h3-13H,1-2H3
InChIKey JCJDJFGFPSSNLX-UHFFFAOYSA-N
SMILES CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)OC4=CC(=C(C=C4)Cl)C
ChEBI Ontology
Outgoing 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-chlorophenyl)sulfonyl-2-propenenitrile (CHEBI:108928) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-20326 LINCS
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