(5-Amino-3,9-Dimethyl-2,4,8-Triazabicyclo[4.3.0]Nona-2,4,10-Trien-8-Yl)-Phenyl-Methanone
[CAS# 1854-39-3]

Identification

• Name: (5-Amino-3,9-Dimethyl-2,4,8-Triazabicyclo[4.3.0]Nona-2,4,10-Trien-8-Yl)-Phenyl-Methanone
• Synonyms: (4-Amino-2,7-Dimethyl-5,7-Dihydropyrrolo[4,3-E]Pyrimidin-6-Yl)-Phenyl-Methanone; 6-Benzoyl-2,7-Dimethyl-6,7-Dihydro-5H-Pyrrolo[3,4-D]Pyrimidin-4-Amine; 6-Benzoyl-2,7-Dimethyl-6,7-Dihydro-5H-Pyrrolo[3,4-D]Pyrimidin-4-Ylamine
• Molecular Formula: C₁₅H₁₆N₄O
• Molecular Weight: 268.32
• CAS Registry Number: 1854-39-3
• SMILES: C3=C(C(N2C(C1=NC(=NC(=C1C2)N)C)C)=O)C=CC=C3
• InChI: 1S/C15H16N4O/c1-9-13-12(14(16)18-10(2)17-13)8-19(9)15(20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
• InChIKey: NUEZJRJKNHKWPP-UHFFFAOYSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 473.573°C at 760 mmHg (Cal.)
• Flash point: 240.208°C (Cal.)