1,3-dimethyl-8-(3-methyl-1-piperidinyl)-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dione

Properties Image MNX_ID MNXM179000 reference chebi:112187 formula C18H25N7O2S2 global charge 0 mol weight 435.579 InChIKey VXJNXUCRGATLNC-UHFFFAOYSA-N InChI InChI=1S/C18H25N7O2S2/c1-11-6-5-7-24(10-11)16-19-14-13(15(26)23(4)18(27)22(14)3)25(16)8-9-28-17-21-20-12(2)29-17/h11H,5-10H2,1-4H3 SMILES CC1=NN=C(SCCN2C(N3CCCC(C)C3)=NC3=C2C(=O)N(C)C(=O)N3C)S1 MNX internals InChI (mnx) InChI=1/C18H25N7O2S2/c1-11-6-5-7-24(10-11)16-19-14-13(15(26)23(4)18(27)22(14)3)25(16)8-9-28-17-21-20-12(2)29-17/h11H,5-10H2,1-4H3/t11? SMILES (mnx) [CH3:1][CH:11]1[CH2:6][CH2:5][CH2:7][N:24]([C:16]2=[N:19][C:14]3=[C:13]([C:15](=[O:26])[N:23]([CH3:4])[C:18](=[O:27])[N:22]3[CH3:3])[N:25]2[CH2:8][CH2:9][S:28][C:17]2=[N:21][N:20]=[C:12]([CH3:2])[S:29]2)[CH2:10]1

Parent-child relations graph

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