CHEBI:113100 - 2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione
ChEBI ID CHEBI:113100
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H11ClN4S
Net Charge 0
Average Mass 290.773
Monoisotopic Mass 290.03930
InChI InChI=1S/C13H11ClN4S/c1-7-11-8(2)18(10-5-3-4-9(14)6-10)17-12(11)13(19)16-15-7/h3-6H,1-2H3,(H,16,19)
InChIKey JWGNZMYQNRMNMN-UHFFFAOYSA-N
SMILES CC1=C2C(=NNC(=S)C2=NN1C3=CC(=CC=C3)Cl)C
ChEBI Ontology
Outgoing 2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione (CHEBI:113100) is a pyrazoles (CHEBI:26410)
2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione (CHEBI:113100) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-24510 LINCS
View more database links