AC1MHYZ5 structure

AC1MHYZ5

2-[4-[8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanol

Also Known As: 1-Piperazineethanol, 4-(8-((phenylmethyl)thio)-4-(4-thiomorpholinyl)pyrimido(5,4-d)pyrimidin-2-yl)-, S-oxide|2-[4-[8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanol|4-{8-(Benzylsulfanyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-yl}-1lambda~4~-thiomorpholin-1-one

CAS: 77776-99-9
Molecular Formula C23H29N7O2S2
Molecular Weight 499.1824 g/mol
LogP 1.3951
Topological Polar Surface Area 98.58 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 7
Exact Mass 499.1824
Monoisotopic Mass 499.1824
Heavy Atoms 34
Complexity 1132.8717

Chemical Identifiers

CAS Number 77776-99-9
SMILES C1CN(CCN1CCO)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=CC=C5

Product Overview

AC1MHYZ5 (CAS 77776-99-9), with molecular formula C23H29N7O2S2 and molecular weight 499.1824 g/mol. IUPAC: 2-[4-[8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanol.

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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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