8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone

Properties Image MNX_ID MNXM155614 reference chebi:131169 formula C22H17ClN6O global charge 0 mol weight 416.872 InChIKey SJVQHLPISAIATJ-ZDUSSCGKSA-N InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1 SMILES C[C@H](NC1=NC=NC2=C1NC=N2)C1=CC2=C(C(=O)N1C1=CC=CC=C1)C(Cl)=CC=C2 MNX internals InChI (mnx) InChI=1/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1 SMILES (mnx) [CH3:1][C@@H:13]([C:17]1=[CH:10][C:14]2=[C:18]([C:16]([Cl:23])=[CH:9][CH:5]=[CH:6]2)[C:22](=[O:30])[N:29]1[C:15]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[NH:28][C:21]1=[N:27][CH:12]=[N:26][C:20]2=[C:19]1[N:24]=[CH:11][NH:25]2

Parent-child relations graph

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