1,3-Diethyl-8-[(E)-2-(3-Nitrophenyl)Ethenyl]-7H-Purine-2,6-Dione
[CAS# 155271-82-2]

Identification

• Name: 1,3-Diethyl-8-[(E)-2-(3-Nitrophenyl)Ethenyl]-7H-Purine-2,6-Dione
• Synonyms: 1,3-Diethyl-8-[(E)-2-(3-Nitrophenyl)Vinyl]-7H-Purine-2,6-Dione; 1,3-Diethyl-8-[(E)-2-(3-Nitrophenyl)Vinyl]-7H-Purine-2,6-Quinone; (E)-1,3-Diethyl-8-(2-(3-Nitrophenyl)Ethenyl)-3,7-Dihydro-1H-Purine-2,6-Dione
• Molecular Formula: C₁₇H₁₇N₅O₄
• Molecular Weight: 355.35
• CAS Registry Number: 155271-82-2
• SMILES: C1=C([N+]([O-])=O)C=CC=C1/C=C/C2=NC3=C([NH]2)C(=O)N(C(=O)N3CC)CC
• InChI: 1S/C17H17N5O4/c1-3-20-15-14(16(23)21(4-2)17(20)24)18-13(19-15)9-8-11-6-5-7-12(10-11)22(25)26/h5-10H,3-4H2,1-2H3,(H,18,19)/b9-8+
• InChIKey: YTPVZGZXIQZGGU-CMDGGOBGSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 619.908°C at 760 mmHg (Cal.)
• Flash point: 328.709°C (Cal.)