compound 0052855

Properties Image MNX_ID MNXM1187131 reference envipathM:...bf61b5452f42 formula C16H15N5O3 global charge 0 mol weight 325.328 InChIKey KHUDLLPVCKPYIZ-UHFFFAOYSA-N InChI InChI=1S/C16H15N5O3/c1-8-12(6-10(17)15(24)14(8)23)21-16-18-5-4-11(20-16)9-2-3-13(22)19-7-9/h2-7,23-24H,17H2,1H3,(H,19,22)(H,18,20,21) SMILES CC1=C(O)C(O)=C(N)C=C1NC1=NC=CC(C2=CC=C(O)N=C2)=N1 MNX internals InChI (mnx) InChI=1/C16H15N5O3/c1-8-12(6-10(17)15(24)14(8)23)21-16-18-5-4-11(20-16)9-2-3-13(22)19-7-9/h2-7,23-24H,17H2,1H3,(H,19,22)(H,18,20,21) SMILES (mnx) [CH3:1][C:8]1=[C:12]([NH:21][C:16]2=[N:18][CH:5]=[CH:4][C:11]([C:9]3=[CH:7][N:19]=[C:13]([OH:22])[CH:3]=[CH:2]3)=[N:20]2)[CH:6]=[C:10]([NH2:17])[C:15]([OH:24])=[C:14]1[OH:23]

Parent-child relations graph

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