8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-(Phenylmethyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-4-Amine
[CAS# 78552-37-1]

Identification

• Name: 8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-(Phenylmethyl)-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-4-Amine
• Synonyms: 8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-(Phenylmethyl)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-4-Amine; 8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-(Phenylmethyl)-6-(1-Piperazinyl)-4-Pyrimido[6,5-E]Pyrimidinamine; Benzyl-[8-(1-Keto-1,4-Thiazinan-4-Yl)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-4-Yl]Amine
• Molecular Formula: C₂₁H₂₆N₈OS
• Molecular Weight: 438.55
• CAS Registry Number: 78552-37-1
• SMILES: C2=NC1=C(N=C(N=C1C(=N2)NCC3=CC=CC=C3)N4CCNCC4)N5CC[S](=O)CC5
• InChI: 1S/C21H26N8OS/c30-31-12-10-28(11-13-31)20-18-17(26-21(27-20)29-8-6-22-7-9-29)19(25-15-24-18)23-14-16-4-2-1-3-5-16/h1-5,15,22H,6-14H2,(H,23,24,25)
• InChIKey: VHUDRBVSGPPPMR-UHFFFAOYSA-N

Properties

• Density: 1.456g/cm³ (Cal.)
• Boiling point: 765.833°C at 760 mmHg (Cal.)
• Flash point: 416.961°C (Cal.)