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New synthesis of a late-stage tetracyclic key intermediate of lumateperone

Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk

Beilstein J. Org. Chem. 2022, 18, 653–659. https://doi.org/10.3762/bjoc.18.66

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Chemical structure C<sub>8</sub>H<sub>6</sub>N<sub>2</sub>

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Extracted from

Scheme 4 Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₆N₂
Molecular Weight	130.15 g/mol
Exact Mass	130.0531 Da
InChI	InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
InChIKey	XSCHRSMBECNVNS-UHFFFAOYSA-N
SMILES	C1=CC2=NC=CN=C2C=C1
Number of Atoms	16
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	0.2

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