compound 0059811

Properties Image MNX_ID MNXM1181106 reference envipathM:...781bd099cade formula C18H24ClN3O3 global charge 0 mol weight 365.861 InChIKey MNBMSGBCKRGQOD-UHFFFAOYSA-N InChI InChI=1S/C18H24ClN3O3/c1-17(2,24)16-8-15(23)14(7-12-3-5-13(19)6-4-12)18(16,25)9-22-11-20-10-21-22/h3-6,10-11,14-16,23-25H,7-9H2,1-2H3 SMILES CC(C)(O)C1CC(O)C(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 MNX internals InChI (mnx) InChI=1/C18H24ClN3O3/c1-17(2,24)16-8-15(23)14(7-12-3-5-13(19)6-4-12)18(16,25)9-22-11-20-10-21-22/h3-6,10-11,14-16,23-25H,7-9H2,1-2H3/t14?,15?,16?,18? SMILES (mnx) [CH3:1][C:17]([CH3:2])([CH:16]1[CH2:8][CH:15]([OH:23])[CH:14]([CH2:7][C:12]2=[CH:4][CH:6]=[C:13]([Cl:19])[CH:5]=[CH:3]2)[C:18]1([CH2:9][N:22]1[CH:11]=[N:20][CH:10]=[N:21]1)[OH:25])[OH:24]

Parent-child relations graph

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