8-Morpholin-4-Yl-4-(Phenylmethylsulfanyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidine
[CAS# 77749-49-6]

Identification

• Name: 8-Morpholin-4-Yl-4-(Phenylmethylsulfanyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidine
• Synonyms: 8-Morpholino-4-(Phenylmethylsulfanyl)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidine; 8-Morpholino-4-(Phenylmethylthio)-6-(1-Piperazinyl)Pyrimido[6,5-E]Pyrimidine; 4-(Benzylthio)-8-Morpholino-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidine
• Molecular Formula: C₂₁H₂₅N₇OS
• Molecular Weight: 423.53
• CAS Registry Number: 77749-49-6
• SMILES: C1=NC(=C2C(=N1)C(=NC(=N2)N3CCNCC3)N4CCOCC4)SCC5=CC=CC=C5
• InChI: 1S/C21H25N7OS/c1-2-4-16(5-3-1)14-30-20-18-17(23-15-24-20)19(27-10-12-29-13-11-27)26-21(25-18)28-8-6-22-7-9-28/h1-5,15,22H,6-14H2
• InChIKey: LUGKHBNNJJSVLE-UHFFFAOYSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 679.524°C at 760 mmHg (Cal.)
• Flash point: 364.763°C (Cal.)