8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-Phenyl-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-4-Amine
[CAS# 78534-70-0]

Identification

• Name: 8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-Phenyl-6-Piperazin-1-Ylpyrimido[6,5-e]Pyrimidin-4-Amine
• Synonyms: 8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-Phenyl-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-4-Amine; 8-(1-Oxo-1,4-Thiazinan-4-Yl)-N-Phenyl-6-(1-Piperazinyl)-4-Pyrimido[6,5-E]Pyrimidinamine; [8-(1-Keto-1,4-Thiazinan-4-Yl)-6-Piperazin-1-Yl-Pyrimido[6,5-E]Pyrimidin-4-Yl]-Phenyl-Amine
• Molecular Formula: C₂₀H₂₄N₈OS
• Molecular Weight: 424.52
• CAS Registry Number: 78534-70-0
• SMILES: C2=NC1=C(N=C(N=C1C(=N2)NC3=CC=CC=C3)N4CCNCC4)N5CC[S](=O)CC5
• InChI: 1S/C20H24N8OS/c29-30-12-10-27(11-13-30)19-17-16(25-20(26-19)28-8-6-21-7-9-28)18(23-14-22-17)24-15-4-2-1-3-5-15/h1-5,14,21H,6-13H2,(H,22,23,24)
• InChIKey: APLDGUGEEOJUSA-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 750.531°C at 760 mmHg (Cal.)
• Flash point: 407.706°C (Cal.)