CHEBI:107162 - 6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one
ChEBI ID CHEBI:107162
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H22BrN5O2S
Net Charge 0
Average Mass 488.402
Monoisotopic Mass 487.06776
InChI InChI=1S/C21H22BrN5O2S/c22-15-6-7-17-16(14-15)20(29)27(21(30)24-17)9-3-5-19(28)26-12-10-25(11-13-26)18-4-1-2-8-23-18/h1-2,4,6-8,14H,3,5,9-13H2,(H,24,30)
InChIKey JVDAHWMLZLAMIO-UHFFFAOYSA-N
SMILES C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S
ChEBI Ontology
Outgoing 6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one (CHEBI:107162) is a piperazines (CHEBI:26144)
6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one (CHEBI:107162) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-18516 LINCS
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