5-Butyl-3,6,7-Trimethyl-1-Phenyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
[CAS# 40678-92-0]

Identification

• Name: 5-Butyl-3,6,7-Trimethyl-1-Phenyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
• Synonyms: 5-Butyl-3,6,7-Trimethyl-1-Phenyl-Pyrrolo[3,2-E]Pyrimidine-2,4-Dione; 5-Butyl-3,6,7-Trimethyl-1-Phenyl-Pyrrolo[3,2-E]Pyrimidine-2,4-Quinone; 1H-Pyrrolo(2,3-D)Pyrimidine-2,4(3H,7H)-Dione, 5-Butyl-1-Phenyl-3,6,7-Trimethyl-
• Molecular Formula: C₁₉H₂₃N₃O₂
• Molecular Weight: 325.41
• CAS Registry Number: 40678-92-0
• SMILES: C3=C(N2C1=C(C(=C([N]1C)C)CCCC)C(=O)N(C2=O)C)C=CC=C3
• InChI: 1S/C19H23N3O2/c1-5-6-12-15-13(2)20(3)17-16(15)18(23)21(4)19(24)22(17)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3
• InChIKey: ZATBNAGZUQROCQ-UHFFFAOYSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 501.447°C at 760 mmHg (Cal.)
• Flash point: 257.066°C (Cal.)