1,3-Dimethyl-7-[3-(N-Ethylnicotinoylamino)-2-Hydroxypropyl]-1H-Purine-2,6(3H,7H)-Dione
[CAS# 69517-63-1]

Identification

• Name: 1,3-Dimethyl-7-[3-(N-Ethylnicotinoylamino)-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-Ethyl-Pyridine-3-Carboxamide; N-[3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-2-Hydroxypropyl]-N-Ethyl-3-Pyridinecarboxamide; N-[3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)-2-Hydroxy-Propyl]-N-Ethyl-Nicotinamide
• Molecular Formula: C₁₈H₂₂N₆O₄
• Molecular Weight: 386.41
• CAS Registry Number: 69517-63-1
• SMILES: C1=NC=CC=C1C(=O)N(CC(C[N]2C=NC3=C2C(N(C(N3C)=O)C)=O)O)CC
• InChI: 1S/C18H22N6O4/c1-4-23(16(26)12-6-5-7-19-8-12)9-13(25)10-24-11-20-15-14(24)17(27)22(3)18(28)21(15)2/h5-8,11,13,25H,4,9-10H2,1-3H3
• InChIKey: NQFXTVAOAPNOFU-UHFFFAOYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 693.452°C at 760 mmHg (Cal.)
• Flash point: 373.187°C (Cal.)