Oxtriphylline (USP)

Properties Image MNX_ID MNXM153448 reference keggD:D02017 formula C12H21N5O3 global charge 0 mol weight 283.332 InChIKey RLANKEDHRWMNRO-UHFFFAOYSA-M InChI InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1 SMILES CN1C(=O)C2=C(N=C[N-]2)N(C)C1=O.C[N+](C)(C)CCO MNX internals InChI (mnx) InChI=1/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1 SMILES (mnx) [CH3:14][N+:19]([CH3:15])([CH3:16])[CH2:17][CH2:18][OH:20].[CH3:1][N:10]1[C:5]2=[C:4]([C:6](=[O:12])[N:11]([CH3:2])[C:7]1=[O:13])[NH+:8]=[CH:3][N-:9]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0