3,5,6-Trimethyl-1-Phenyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
[CAS# 40678-91-9]

Identification

• Name: 3,5,6-Trimethyl-1-Phenyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
• Synonyms: 3,5,6-Trimethyl-1-Phenyl-7H-Pyrrolo[3,2-E]Pyrimidine-2,4-Quinone; 1-Phenyl-3,5,6-Trimethyl-1H-Pyrrolo(2,3-D)Pyrimidine-2,4(3H,7H)-Dione; 1H-Pyrrolo(2,3-D)Pyrimidine-2,4(3H,7H)-Dione, 1-Phenyl-3,5,6-Trimethyl-
• Molecular Formula: C₁₅H₁₅N₃O₂
• Molecular Weight: 269.30
• CAS Registry Number: 40678-91-9
• SMILES: C1=CC=CC=C1N2C(N(C(C3=C2[NH]C(=C3C)C)=O)C)=O
• InChI: 1S/C15H15N3O2/c1-9-10(2)16-13-12(9)14(19)17(3)15(20)18(13)11-7-5-4-6-8-11/h4-8,16H,1-3H3
• InChIKey: CPFKFAYLYLBHHN-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 489.814°C at 760 mmHg (Cal.)
• Flash point: 250.031°C (Cal.)