AC1NZE1S structure

AC1NZE1S

(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Also Known As: (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one|(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one|3-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-5-{[9-methyl-2-(methylamino)-4-oxo( 5-hydropyridino[1,2-a]pyrimidin-3-yl)]methylene}-2-thioxo-1,3-thiazolidin-4-on e|3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS: 489404-24-2
Molecular Formula C22H18N4O4S2
Molecular Weight 466.07693 g/mol
LogP 3.17472
Topological Polar Surface Area 85.17 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 4
Exact Mass 466.07693
Monoisotopic Mass 466.07693
Heavy Atoms 32
Complexity 1382.3389

Chemical Identifiers

CAS Number 489404-24-2
SMILES CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NC

Product Overview

AC1NZE1S (CAS 489404-24-2), with molecular formula C22H18N4O4S2 and molecular weight 466.07693 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-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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