3-Methoxybenzyladenine

Properties Image MNX_ID MNXM166194 reference sabiorkM:18785 formula C13H13N5O global charge 0 mol weight 255.281 InChIKey HFXLMYHBRAVNPQ-UHFFFAOYSA-N InChI InChI=1S/C13H13N5O/c1-19-10-4-2-3-9(5-10)6-18-8-17-11-12(14)15-7-16-13(11)18/h2-5,7-8H,6H2,1H3,(H2,14,15,16) SMILES COC1=CC=CC(CN2C=NC3=C(N)N=CN=C32)=C1 MNX internals InChI (mnx) InChI=1/C13H13N5O/c1-19-10-4-2-3-9(5-10)6-18-8-17-11-12(14)15-7-16-13(11)18/h2-5,7-8H,6H2,1H3,(H2,14,15,16) SMILES (mnx) [CH3:1][O:19][C:10]1=[CH:4][CH:2]=[CH:3][C:9]([CH2:6][N:18]2[CH:8]=[N:17][C:11]3=[C:12]([NH2:14])[N:15]=[CH:7][N:16]=[C:13]32)=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0