4-[4-(Phenylmethylsulfanyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide
[CAS# 77749-76-9]

Identification

• Name: 4-[4-(Phenylmethylsulfanyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide
• Synonyms: 4-[4-(Phenylmethylsulfanyl)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide; 4-[4-(Phenylmethylthio)-6-(1-Piperazinyl)-8-Pyrimido[6,5-E]Pyrimidinyl]-1,4-Thiazinane 1-Oxide; 4-[4-(Benzylthio)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-8-Yl]-1,4-Thiazinane 1-Oxide
• Molecular Formula: C₂₁H₂₅N₇OS₂
• Molecular Weight: 455.59
• CAS Registry Number: 77749-76-9
• SMILES: C2=NC1=C(N=C(N=C1C(=N2)SCC3=CC=CC=C3)N4CCNCC4)N5CC[S](=O)CC5
• InChI: 1S/C21H25N7OS2/c29-31-12-10-27(11-13-31)19-17-18(25-21(26-19)28-8-6-22-7-9-28)20(24-15-23-17)30-14-16-4-2-1-3-5-16/h1-5,15,22H,6-14H2
• InChIKey: JPLIANZOBQSKQR-UHFFFAOYSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 776.318°C at 760 mmHg (Cal.)
• Flash point: 423.302°C (Cal.)