2-[[4-[(2-Amino-4-Oxo-1H-Pyrido[6,5-e]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
[CAS# 51989-25-4]

Identification

• Name: 2-[[4-[(2-Amino-4-Oxo-1H-Pyrido[6,5-e]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[[4-[(2-Amino-4-Oxo-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2-Amino-4-Keto-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; 2-[[4-[(2-Amino-4-Oxo-1H-Pyrido[6,5-E]Pyrimidin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₀N₆O₆
• Molecular Weight: 440.41
• CAS Registry Number: 51989-25-4
• SMILES: C1=C(C(=O)NC(CCC(O)=O)C(O)=O)C=CC(=C1)NCC3=NC2=C(NC(=NC2=O)N)C=C3
• InChI: 1S/C20H20N6O6/c21-20-25-13-6-5-12(23-16(13)18(30)26-20)9-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)7-8-15(27)28/h1-6,14,22H,7-9H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,25,26,30)
• InChIKey: PEIIBFVUZRSFNO-UHFFFAOYSA-N

Properties

• Density: 1.615g/cm³ (Cal.)