CHEBI:91345 - 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]acetonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]acetonitrile
ChEBI ID CHEBI:91345
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H16N6S
Net Charge 0
Average Mass 372.448
Monoisotopic Mass 372.11572
InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
InChIKey RCYPVQCPYKNSTG-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4
ChEBI Ontology
Outgoing 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]acetonitrile (CHEBI:91345) is a benzothiazoles (CHEBI:37947)
Manual Xref Database
LSM-1034 LINCS
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