1H-Pyrrole-2-Aceticacid 1-Methyl-5-(4-Methylbenzoyl)-,2-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Ethyl Ester
[CAS# 104333-87-1]

Identification

• Name: 1H-Pyrrole-2-Aceticacid 1-Methyl-5-(4-Methylbenzoyl)-,2-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Ethyl Ester
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl 2-[1-Methyl-5-(4-Methylbenzoyl)Pyrrol-2-Yl]Acetate; 2-[1-Methyl-5-[(4-Methylphenyl)-Oxomethyl]-2-Pyrrolyl]Acetic Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Ester; 2-[1-Methyl-5-(4-Methylbenzoyl)Pyrrol-2-Yl]Acetic Acid 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Ester
• Molecular Formula: C₂₄H₂₅N₅O₅
• Molecular Weight: 463.49
• CAS Registry Number: 104333-87-1
• SMILES: C1=NC4=C([N]1CCOC(=O)CC2=CC=C([N]2C)C(=O)C3=CC=C(C=C3)C)C(=O)N(C(=O)N4C)C
• InChI: 1S/C24H25N5O5/c1-15-5-7-16(8-6-15)21(31)18-10-9-17(26(18)2)13-19(30)34-12-11-29-14-25-22-20(29)23(32)28(4)24(33)27(22)3/h5-10,14H,11-13H2,1-4H3
• InChIKey: TYIRBZOAKBEYEJ-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 710.625°C at 760 mmHg (Cal.)
• Flash point: 383.572°C (Cal.)