AC1O0SY1 structure

AC1O0SY1

(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Also Known As: 2-[(2-hydroxy-2-phenylethyl)amino]-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one|(5Z)-5-({2-[(2-HYDROXY-2-PHENYLETHYL)AMINO]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-3-METHYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE|(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one|(Z)-5-((2-((2-hydroxy-2-phenylethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one|5-({2-[(2-hydroxy-2-phenylethyl)amino]-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3 -yl)}methylene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one

CAS: 587013-32-9
Molecular Formula C21H18N4O3S2
Molecular Weight 438.08203 g/mol
LogP 2.671
Topological Polar Surface Area 86.94 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 438.08203
Monoisotopic Mass 438.08203
Heavy Atoms 30
Complexity 1223.8986

Chemical Identifiers

CAS Number 587013-32-9
SMILES CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC(C4=CC=CC=C4)O)/SC1=S

Product Overview

AC1O0SY1 (CAS 587013-32-9), with molecular formula C21H18N4O3S2 and molecular weight 438.08203 g/mol. IUPAC: (5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-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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