compound 0280666

Properties Image MNX_ID MNXM1197018 reference envipathM:...94aebd42034b formula C17H16N5O3 global charge -1 mol weight 338.347 InChIKey WQEURPBHKRGHAY-UHFFFAOYSA-M InChI InChI=1S/C17H17N5O3/c1-9(6-16(23)17(24)25)21-14-7-13(20)15(8-12(14)19)22-11-4-2-10(18)3-5-11/h2-5,7-8H,1,6,18-20H2,(H,24,25)/p-1 SMILES C=C(CC(=O)C(=O)[O-])N=C1C=C(N)C(=NC2=CC=C(N)C=C2)C=C1N MNX internals InChI (mnx) InChI=1/C17H17N5O3/c1-9(6-16(23)17(24)25)21-14-7-13(20)15(8-12(14)19)22-11-4-2-10(18)3-5-11/h2-5,7-8H,1,6,18-20H2,(H,24,25)/b21-14?,22-15? SMILES (mnx) [CH2:1]=[C:9]([CH2:6][C:16]([C:17]([OH:24])=[O:25])=[O:23])[N:21]=[C:14]1[CH:7]=[C:13]([NH2:20])[C:15](=[N:22][C:11]2=[CH:5][CH:3]=[C:10]([NH2:18])[CH:2]=[CH:4]2)[CH:8]=[C:12]1[NH2:19]

Parent-child relations graph

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