N-[2-[[(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Acetyl]Thio]-1-Oxopropyl]Glycine
[CAS# 94088-02-5]

Identification

• Name: N-[2-[[(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Acetyl]Thio]-1-Oxopropyl]Glycine
• Synonyms: 2-[2-[2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Acetyl]Sulfanylpropanoylamino]Acetic Acid; 2-[[2-[[2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-1-Oxoethyl]Thio]-1-Oxopropyl]Amino]Acetic Acid; 2-[2-[[2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Acetyl]Thio]Propanoylamino]Acetic
• Molecular Formula: C₁₄H₁₇N₅O₆S
• Molecular Weight: 383.38
• CAS Registry Number: 94088-02-5
• EINECS: 301-998-3
• SMILES: C1=NC2=C([N]1CC(SC(C(=O)NCC(=O)O)C)=O)C(=O)N(C(=O)N2C)C
• InChI: 1S/C14H17N5O6S/c1-7(12(23)15-4-8(20)21)26-9(22)5-19-6-16-11-10(19)13(24)18(3)14(25)17(11)2/h6-7H,4-5H2,1-3H3,(H,15,23)(H,20,21)
• InChIKey: ALIAQOABEFSRDU-UHFFFAOYSA-N

Properties

• Density: 1.609g/cm³ (Cal.)