3,7-Dihydro-1,3-Dimethyl-7-(2-(4-Methylphenyl)-2- Oxoethyl)-8-(1-Piperidinyl)-1H-Purine-2,6-Dione
[CAS# 96885-58-4]

Identification

• Name: 3,7-Dihydro-1,3-Dimethyl-7-(2-(4-Methylphenyl)-2- Oxoethyl)-8-(1-Piperidinyl)-1H-Purine-2,6-Dione
• Synonyms: 1,3-Dimethyl-7-[2-(4-Methylphenyl)-2-Oxo-Ethyl]-8-(1-Piperidyl)Purine-2,6-Dione; 1,3-Dimethyl-7-[2-(4-Methylphenyl)-2-Oxoethyl]-8-(1-Piperidyl)Purine-2,6-Dione; 7-[2-Keto-2-(4-Methylphenyl)Ethyl]-1,3-Dimethyl-8-Piperidino-Xanthine
• Molecular Formula: C₂₁H₂₅N₅O₃
• Molecular Weight: 395.46
• CAS Registry Number: 96885-58-4
• SMILES: C4=C(C(=O)C[N]2C1=C(N(C(=O)N(C1=O)C)C)N=C2N3CCCCC3)C=CC(=C4)C
• InChI: 1S/C21H25N5O3/c1-14-7-9-15(10-8-14)16(27)13-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)25-11-5-4-6-12-25/h7-10H,4-6,11-13H2,1-3H3
• InChIKey: MVZXMWYBZYFGGX-UHFFFAOYSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 620.51°C at 760 mmHg (Cal.)
• Flash point: 329.073°C (Cal.)