4-[4-(2-Phenylethylsulfanyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide
[CAS# 77749-81-6]

Identification

• Name: 4-[4-(2-Phenylethylsulfanyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide
• Synonyms: 4-[4-(2-Phenylethylsulfanyl)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide; 4-[4-(2-Phenylethylthio)-6-(1-Piperazinyl)-8-Pyrimido[6,5-E]Pyrimidinyl]-1,4-Thiazinane 1-Oxide; 4-[4-(2-Phenylethylthio)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide
• Molecular Formula: C₂₂H₂₇N₇OS₂
• Molecular Weight: 469.62
• CAS Registry Number: 77749-81-6
• SMILES: C4=NC1=C(N=C(N=C1N2CC[S](=O)CC2)N3CCNCC3)C(=N4)SCCC5=CC=CC=C5
• InChI: 1S/C22H27N7OS2/c30-32-14-11-28(12-15-32)20-18-19(26-22(27-20)29-9-7-23-8-10-29)21(25-16-24-18)31-13-6-17-4-2-1-3-5-17/h1-5,16,23H,6-15H2
• InChIKey: SFLXZGLWKMACEP-UHFFFAOYSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 785.938°C at 760 mmHg (Cal.)
• Flash point: 429.12°C (Cal.)