Compound C10H15ClN4O3S

8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride

CAS: 56223-60-0

Molecular Formula	`C10H15ClN4O3S`
Molecular Weight	306.77 g/mol
Topological Polar Surface Area	103.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	306.05533
Heavy Atoms	19
Complexity	474.0

Chemical Identifiers

CAS Number	56223-60-0
SMILES	`C[NH+]1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C.[Cl-]`
InChIKey	`ZGRRBICBPANSIR-UHFFFAOYSA-N`

📖 Product Overview

Compound C10H15ClN4O3S (CAS: 56223-60-0) is a chemical compound with molecular formula C10H15ClN4O3S and molecular weight 306.77 g/mol. Its IUPAC systematic name is 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride. Topological Polar Surface Area 103.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 306.05533 Heavy Atoms 19 Complexity 474.0 InChI Key: ZGRRBICBPANSIR-UHFFFAOYSA-N. SMILES: C[NH+]1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C.[Cl-].

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