3-Acetoxy-8-azaxanthine

(5,7-dioxo-2H-triazolo[4,5-d]pyrimidin-4-yl) acetate

Also Known As: 3-Acetoxy-8-azaxanthine|3-Acetoxy-8-azaxanthin|(5,7-dioxo-2H-triazolo[4,5-d]pyrimidin-4-yl) acetate|1H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7-(4H,6H)-dione, 4-(acetyloxy)-|4-(Acetyloxy)-1H-1,2,3-triazolo(4,5-d)pyrimidine-5,7-(4H,6H)-dione|4-(acetyloxy)-2h-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione|5,7-Dioxo-6,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-4(5H)-yl acetate|1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 4-(acetyloxy)-|4-(Acetyloxy)-1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione|5,7-dioxo-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-4-yl acetate|5,7-Dioxo-2,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-d]pyrimidin-4-yl acetate

Molecular Formula	C6H5N5O4
Molecular Weight	211.03415 g/mol
LogP	-0.9
Topological Polar Surface Area	117.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	211.03415
Monoisotopic Mass	211.03415
Heavy Atoms	15
Complexity	331.0

Chemical Identifiers

CAS Number	39243-92-0
SMILES	CC(=O)ON1C2=NNN=C2C(=O)NC1=O
InChIKey	HDJMLCVWZXVPGB-UHFFFAOYSA-N