CHEBI:116961 - [4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone
ChEBI ID CHEBI:116961
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H27N9O
Net Charge 0
Average Mass 481.553
Monoisotopic Mass 481.23386
InChI InChI=1S/C26H27N9O/c36-24(33-13-17-35(18-14-33)26-29-9-4-10-30-26)22-19-31-23(21-6-2-1-5-20(21)22)32-11-15-34(16-12-32)25-27-7-3-8-28-25/h1-10,19H,11-18H2
InChIKey ZGBDOUWUMKSJJF-UHFFFAOYSA-N
SMILES C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5)C6=NC=CC=N6
ChEBI Ontology
Outgoing [4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone (CHEBI:116961) is a piperazines (CHEBI:26144)
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone (CHEBI:116961) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-28410 LINCS
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