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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>9</sub>H<sub>13</sub>N<sub>3</sub>

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₃N₃
Molecular Weight	163.22 g/mol
Exact Mass	163.1109 Da
InChI	InChI=1S/C9H13N3/c1-11-6-7-12(10)9-5-3-2-4-8(9)11/h2-5H,6-7,10H2,1H3
InChIKey	NCAVOKCJTGEAGV-UHFFFAOYSA-N
SMILES	CN1CCN(C2=C1C=CC=C2)N
Number of Atoms	25
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	9
XLogP	0.0

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