CHEBI:109442 - N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
ChEBI ID CHEBI:109442
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H23ClN6
Net Charge 0
Average Mass 382.891
Monoisotopic Mass 382.16727
InChI InChI=1S/C20H23ClN6/c1-27(2)10-4-9-22-19-8-7-15(13-23-19)18-12-20(25-14-24-18)26-17-6-3-5-16(21)11-17/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,22,23)(H,24,25,26)
InChIKey YDJIFKISSQNAIS-UHFFFAOYSA-N
SMILES CN(C)CCCNC1=NC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Cl
ChEBI Ontology
Outgoing N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine (CHEBI:109442) is a organonitrogen heterocyclic compound (CHEBI:38101)
Manual Xref Database
LSM-20840 LINCS
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