2-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-7H-Purin-7-Yl)Ethyl [1-Methyl-5-(4-Methylbenzoyl)-1H-Pyrrol-2-Yl]Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26N5O5
IUPAC Name 2-(1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl)ethyl 2-[1-methyl-5-(4-methylbenzene-3,5-diide-1-carbonyl)pyrrol-2-yl]acetate
Molecular Mass 464.494 g·mol−1
Heat of Formation 289.4 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 543.1 Å 3
Surface Area 391.67 Å 2
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-(4-benzoyl)pyrrole-2-acetic acid 2-(theophylline-7-yl)ethyl ester
  • 1h-pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7h-purin-7-yl)ethyl ester
  • 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate
  • 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate
  • 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester
  • 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester
  • med 27
  • med-27
  • medosan-27
CAS Number(s)
  • 104333-87-1
InChIKey TYIRBZOAKBEYEJ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N