Compound C21H25ClIN3OS

2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium iodide

CAS: 15589-19-2

Molecular Formula	`C21H25ClIN3OS`
Molecular Weight	529.9 g/mol
Topological Polar Surface Area	58.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	529.04517
Heavy Atoms	28
Complexity	546.0

Chemical Identifiers

CAS Number	15589-19-2
SMILES	`CC[N+](C)(CC)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3.[I-]`
InChIKey	`CIHUJRGMEYGYOL-UHFFFAOYSA-M`

📖 Product Overview

Compound C21H25ClIN3OS (CAS: 15589-19-2) is a chemical compound with molecular formula C21H25ClIN3OS and molecular weight 529.9 g/mol. Its IUPAC systematic name is 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium iodide. Topological Polar Surface Area 58.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 529.04517 Heavy Atoms 28 Complexity 546.0 InChI Key: CIHUJRGMEYGYOL-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3.[I-].

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