2,3-Dihydro-3-(3-(4-(3-Chlorophenyl)-1-Piperazinyl)Propyl)-7-Methyl-1-Phenyl-2-Thioxo-Pyrimido(4,5-d)Pyrimidin-4(1H)-One
[CAS# 142287-34-1]

Identification

• Name: 2,3-Dihydro-3-(3-(4-(3-Chlorophenyl)-1-Piperazinyl)Propyl)-7-Methyl-1-Phenyl-2-Thioxo-Pyrimido(4,5-d)Pyrimidin-4(1H)-One
• Synonyms: 6-[3-[4-(3-Chlorophenyl)Piperazin-1-Yl]Propyl]-2-Methyl-8-Phenyl-7-Thioxo-Pyrimido[6,5-D]Pyrimidin-5-One; 6-[3-[4-(3-Chlorophenyl)-1-Piperazinyl]Propyl]-2-Methyl-8-Phenyl-7-Thioxo-5-Pyrimido[6,5-D]Pyrimidinone; 6-[3-[4-(3-Chlorophenyl)Piperazin-1-Yl]Propyl]-2-Methyl-8-Phenyl-7-Sulfanylidene-Pyrimido[6,5-D]Pyrimidin-5-One
• Molecular Formula: C₂₆H₂₇ClN₆OS
• Molecular Weight: 507.05
• CAS Registry Number: 142287-34-1
• SMILES: C1=C2C(=NC(=N1)C)N(C(=S)N(C2=O)CCCN4CCN(C3=CC=CC(=C3)Cl)CC4)C5=CC=CC=C5
• InChI: 1S/C26H27ClN6OS/c1-19-28-18-23-24(29-19)33(21-8-3-2-4-9-21)26(35)32(25(23)34)12-6-11-30-13-15-31(16-14-30)22-10-5-7-20(27)17-22/h2-5,7-10,17-18H,6,11-16H2,1H3
• InChIKey: OBBCRROUKFAFCR-UHFFFAOYSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 673.732°C at 760 mmHg (Cal.)
• Flash point: 361.261°C (Cal.)