Compound C17H20N4O5S

4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid

CAS: 89073-57-4

Molecular Formula	`C17H20N4O5S`
Molecular Weight	392.4 g/mol
LogP	3.1
Topological Polar Surface Area	132.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	392.11545
Heavy Atoms	27
Complexity	671.0

Chemical Identifiers

CAS Number	89073-57-4
SMILES	`CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O`
InChIKey	`IWALGNIFYOBRKC-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H20N4O5S (CAS: 89073-57-4) is a chemical compound with molecular formula C17H20N4O5S and molecular weight 392.4 g/mol. Its IUPAC systematic name is 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid. LogP 3.1 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 392.11545 Heavy Atoms 27 Complexity 671.0 InChI Key: IWALGNIFYOBRKC-UHFFFAOYSA-N. SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O.

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