1,3-Dimethyl-7-[3-(N-Nicotinoyl-N-Methylamino)-2-Hydroxypropyl]-1H-Purine-2,6(3H,7H)-Dione
[CAS# 69517-65-3]

Identification

• Name: 1,3-Dimethyl-7-[3-(N-Nicotinoyl-N-Methylamino)-2-Hydroxypropyl]-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: N-[3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-2-Hydroxy-Propyl]-N-Methyl-Pyridine-3-Carboxamide; N-[3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-2-Hydroxypropyl]-N-Methyl-3-Pyridinecarboxamide; N-[3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)-2-Hydroxy-Propyl]-N-Methyl-Nicotinamide
• Molecular Formula: C₁₇H₂₀N₆O₄
• Molecular Weight: 372.38
• CAS Registry Number: 69517-65-3
• SMILES: C1=NC=CC=C1C(=O)N(C)CC(C[N]2C=NC3=C2C(N(C(N3C)=O)C)=O)O
• InChI: 1S/C17H20N6O4/c1-20(15(25)11-5-4-6-18-7-11)8-12(24)9-23-10-19-14-13(23)16(26)22(3)17(27)21(14)2/h4-7,10,12,24H,8-9H2,1-3H3
• InChIKey: FZURPHWDTALDFA-UHFFFAOYSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 691.976°C at 760 mmHg (Cal.)
• Flash point: 372.294°C (Cal.)