Compound C16H18Cl3N5O2

2-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-diethylazanium chloride

CAS: 41572-59-2

Molecular Formula	`C16H18Cl3N5O2`
Molecular Weight	418.7 g/mol
Topological Polar Surface Area	78.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	417.0526
Heavy Atoms	26
Complexity	620.0

Chemical Identifiers

CAS Number	41572-59-2
SMILES	`CC[NH+](CC)CCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl.[Cl-]`
InChIKey	`QJDZYIFKIJTWSB-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H18Cl3N5O2 (CAS: 41572-59-2) is a chemical compound with molecular formula C16H18Cl3N5O2 and molecular weight 418.7 g/mol. Its IUPAC systematic name is 2-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)ethyl-diethylazanium chloride. Topological Polar Surface Area 78.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 417.0526 Heavy Atoms 26 Complexity 620.0 InChI Key: QJDZYIFKIJTWSB-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl.[Cl-].

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