N-(Phenylmethyl)-6-Piperazin-1-Yl-8-Thiomorpholin-4-Ylpyrimido[6,5-e]Pyrimidin-4-Amine
[CAS# 78552-52-0]

Identification

• Name: N-(Phenylmethyl)-6-Piperazin-1-Yl-8-Thiomorpholin-4-Ylpyrimido[6,5-e]Pyrimidin-4-Amine
• Synonyms: N-(Phenylmethyl)-6-Piperazin-1-Yl-8-Thiomorpholino-Pyrimido[6,5-E]Pyrimidin-4-Amine; N-(Phenylmethyl)-6-(1-Piperazinyl)-8-Thiomorpholino-4-Pyrimido[6,5-E]Pyrimidinamine; Benzyl-(6-Piperazin-1-Yl-8-Thiomorpholino-Pyrimido[6,5-E]Pyrimidin-4-Yl)Amine
• Molecular Formula: C₂₁H₂₆N₈S
• Molecular Weight: 422.55
• CAS Registry Number: 78552-52-0
• SMILES: C2=NC1=C(N=C(N=C1C(=N2)NCC3=CC=CC=C3)N4CCNCC4)N5CCSCC5
• InChI: 1S/C21H26N8S/c1-2-4-16(5-3-1)14-23-19-17-18(24-15-25-19)20(28-10-12-30-13-11-28)27-21(26-17)29-8-6-22-7-9-29/h1-5,15,22H,6-14H2,(H,23,24,25)
• InChIKey: LISQGJSNQRUWSI-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 689.074°C at 760 mmHg (Cal.)
• Flash point: 370.539°C (Cal.)