5-Butyl-1,3-Dimethyl-6-Phenyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
[CAS# 53681-32-6]

Identification

• Name: 5-Butyl-1,3-Dimethyl-6-Phenyl-1H-Pyrrolo[2,3-d]Pyrimidine-2,4(3H,7H)-Dione
• Synonyms: 5-Butyl-1,3-Dimethyl-6-Phenyl-7H-Pyrrolo[3,2-E]Pyrimidine-2,4-Quinone; Brn 0562342; 1H-Pyrrolo(2,3-D)Pyrimidine-2,4(3H,7H)-Dione, 5-Butyl-1,3-Dimethyl-6-Phenyl-
• Molecular Formula: C₁₈H₂₁N₃O₂
• Molecular Weight: 311.38
• CAS Registry Number: 53681-32-6
• SMILES: C3=C(C2=C(C1=C(N(C(=O)N(C1=O)C)C)[NH]2)CCCC)C=CC=C3
• InChI: 1S/C18H21N3O2/c1-4-5-11-13-14-16(20(2)18(23)21(3)17(14)22)19-15(13)12-9-7-6-8-10-12/h6-10,19H,4-5,11H2,1-3H3
• InChIKey: XHENNCPEXMMHDG-UHFFFAOYSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 536.154°C at 760 mmHg (Cal.)
• Flash point: 278.056°C (Cal.)