(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol

Properties Image MNX_ID MNXM171157 reference chebi:94469 formula C36H33N5O2 global charge 0 mol weight 567.693 InChIKey DOKZLKDGUQWMSX-HKBQPEDESA-N InChI InChI=1S/C36H33N5O2/c42-23-31(20-25-8-3-1-4-9-25)38-34-33-35(40-36(39-34)43-32-19-18-28-12-7-13-30(28)21-32)41(24-37-33)22-26-14-16-29(17-15-26)27-10-5-2-6-11-27/h1-6,8-11,14-19,21,24,31,42H,7,12-13,20,22-23H2,(H,38,39,40)/t31-/m0/s1 SMILES OC[C@H](CC1=CC=CC=C1)NC1=NC(OC2=CC3=C(C=C2)CCC3)=NC2=C1N=CN2CC1=CC=C(C2=CC=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C36H33N5O2/c42-23-31(20-25-8-3-1-4-9-25)38-34-33-35(40-36(39-34)43-32-19-18-28-12-7-13-30(28)21-32)41(24-37-33)22-26-14-16-29(17-15-26)27-10-5-2-6-11-27/h1-6,8-11,14-19,21,24,31,42H,7,12-13,20,22-23H2,(H,38,39,40)/t31-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][CH:8]=[C:25]([CH2:20][C@@H:31]([CH2:23][OH:42])[NH:38][C:34]2=[N:39][C:36]([O:43][C:32]3=[CH:19][CH:18]=[C:28]4[CH2:12][CH2:7][CH2:13][C:30]4=[CH:21]3)=[N:40][C:35]3=[C:33]2[N:37]=[CH:24][N:41]3[CH2:22][C:26]2=[CH:15][CH:17]=[C:29]([C:27]3=[CH:10][CH:5]=[CH:2][CH:6]=[CH:11]3)[CH:16]=[CH:14]2)[CH:9]=[CH:4]1

Parent-child relations graph

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