(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol

Properties Image MNX_ID MNXM171160 reference chebi:95340 formula C24H29N7O global charge 0 mol weight 431.544 InChIKey HOCBJBNQIQQQGT-IBGZPJMESA-N InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1 SMILES CC[C@@H](CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C3=CC=CC=N3)C=C2)=N1 MNX internals InChI (mnx) InChI=1/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@@H:19]([CH2:14][OH:32])[N:28]=[C:24]1[NH:29][C:22]([NH:26][CH2:13][C:17]2=[CH:9][CH:11]=[C:18]([C:20]3=[CH:7][CH:5]=[CH:6][CH:12]=[N:25]3)[CH:10]=[CH:8]2)=[C:21]2[C:23](=[N:30]1)[N:31]([CH:16]([CH3:2])[CH3:3])[CH:15]=[N:27]2

Parent-child relations graph

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