Molecule ID: 16574

IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetate

Description: The molecule is a N-glycosyl-1,2,4-triazine that is 6-azauridine acetylated at positions 2', 3' and 5' on the sugar ring. It is a prodrug for 6-azauridine and is used for treatment of psoriasis. It has a role as an antipsoriatic and a prodrug. It is an acetate ester and a N-glycosyl-1,2,4-triazine. It derives from a 6-azauridine.

SMILES: CC(=O)OC[C@H]1O[C@@H](n2ncc(O)nc2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

SELFIES: [C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch1][=N][N][N][=C][C][Branch1][C][O][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][P][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12-,13-/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -0.2