2-[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 3566-25-4]

Identification

• Name: 2-[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[2-(2-Amino-4-Keto-1H-Pteridin-6-Yl)Ethylamino]Benzoyl]Amino]Glutaric Acid; 2-[[4-[2-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₁N₇O₆
• Molecular Weight: 455.43
• CAS Registry Number: 3566-25-4
• SMILES: C1=C(C(NC(C(O)=O)CCC(=O)O)=O)C=CC(=C1)NCCC2=NC3=C(N=C2)NC(=NC3=O)N
• InChI: 1S/C20H21N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h1-4,9,13,22H,5-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)
• InChIKey: QXARTGUOGAZGKO-UHFFFAOYSA-N

Properties

• Density: 1.642g/cm³ (Cal.)