Rilmazafone hydrochloride

Properties Image MNX_ID MNXM160853 reference chebi:32100 formula C21H25Cl3N6O5 global charge 0 mol weight 547.827 InChIKey UWTWLIQPJSLNEN-UHFFFAOYSA-N InChI InChI=1S/C21H20Cl2N6O3.ClH.2H2O/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23;;;/h3-9H,10-11,24H2,1-2H3,(H,25,30);1H;2*1H2 SMILES CN(C)C(=O)C1=NN(C2=CC=C(Cl)C=C2C(=O)C2=CC=CC=C2Cl)C(CNC(=O)CN)=N1.Cl.O.O MNX internals InChI (mnx) InChI=1/C21H20Cl2N6O3.ClH.2H2O/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23;;;/h3-9H,10-11,24H2,1-2H3,(H,25,30);1H;2*1H2 SMILES (mnx) [CH3:1][N:28]([CH3:2])[C:21]([C:20]1=[N:27][N:29]([C:16]2=[C:14]([C:19]([C:13]3=[CH:5][CH:3]=[CH:4][CH:6]=[C:15]3[Cl:23])=[O:31])[CH:9]=[C:12]([Cl:22])[CH:7]=[CH:8]2)[C:17]([CH2:11][N:25]=[C:18]([CH2:10][NH2:24])[OH:30])=[N:26]1)=[O:32].[ClH:33].[OH2:34].[OH2:35]

Parent-child relations graph

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