AC1NYKUI structure

AC1NYKUI

(5Z)-5-[(9-methyl-4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Also Known As: 9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(thiomorpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one|(Z)-5-((9-methyl-4-oxo-2-thiomorpholino-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one|(5Z)-5-[(9-methyl-4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one|5-[(9-methyl-4-oxo-2-(1,4-thiazaperhydroin-4-yl)(5-hydropyridino[1,2-a]pyrimid in-3-yl))methylene]-3-[(4-methylphenyl)methyl]-2-thioxo-1,3-thiazolidin-4-one

CAS: 489404-40-2
Molecular Formula C25H24N4O2S3
Molecular Weight 508.10614 g/mol
LogP 4.26594
Topological Polar Surface Area 57.92 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 508.10614
Monoisotopic Mass 508.10614
Heavy Atoms 34
Complexity 1375.4115

Chemical Identifiers

CAS Number 489404-40-2
SMILES CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N=C4C(=CC=CN4C3=O)C)N5CCSCC5)/SC2=S

Product Overview

AC1NYKUI (CAS 489404-40-2), with molecular formula C25H24N4O2S3 and molecular weight 508.10614 g/mol. IUPAC: (5Z)-5-[(9-methyl-4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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