8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione

CAS: 2016-63-9

Molecular Formula	`C20H27N5O3`
Molecular Weight	385.5 g/mol
LogP	1.2
Topological Polar Surface Area	81.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	385.2114
Heavy Atoms	28
Complexity	554.0

Chemical Identifiers

CAS Number	2016-63-9
SMILES	`CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO`
InChIKey	`VVUYEFBRTFASAH-UHFFFAOYSA-N`

📖 Product Overview

8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione (CAS: 2016-63-9) is a chemical compound with molecular formula C20H27N5O3 and molecular weight 385.5 g/mol. Its IUPAC systematic name is 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione. LogP 1.2 Topological Polar Surface Area 81.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 385.2114 Heavy Atoms 28 Complexity 554.0 InChI Key: VVUYEFBRTFASAH-UHFFFAOYSA-N. SMILES: CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.

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