5-Methyl-4-oxo-4,5-dihydro-1H-pyrimido[5,4-b]indole-9-carbonitrile
[CAS# 812675-69-7]

Identification

• Name: 5-Methyl-4-oxo-4,5-dihydro-1H-pyrimido[5,4-b]indole-9-carbonitrile
• Synonyms: 5-methyl-4-oxo-4,5-dihydro-1H-pyrimido[5,4-b]indole-9-carbonitrile
• Molecular Formula: C₁₂H₈N₄O
• Molecular Weight: 224.22
• CAS Registry Number: 812675-69-7
• SMILES: Cn1c2cccc(c2c3c1c(=O)nc[nH]3)C#N
• InChI: 1S/C12H8N4O/c1-16-8-4-2-3-7(5-13)9(8)10-11(16)12(17)15-6-14-10/h2-4,6H,1H3,(H,14,15,17)
• InChIKey: LUEIUXQXJGYDSH-UHFFFAOYSA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 513.773°C at 760 mmHg (Cal.)
• Flash point: 264.521°C (Cal.)
• Refractive index: 1.754 (Cal.)