Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
CCn1nc(-c2cccc(-c3cc(C(=O)NCC[C@H]4CCCN4C)cc(C(=O)NC4CC4)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O
InChI=1S/C36H38Cl2N8O4/c1-3-46-35(49)31(42-36(50)43-32-28(37)19-39-20-29(32)38)18-30(44-46)22-7-4-6-21(14-22)23-15-24(17-25(16-23)34(48)41-26-9-10-26)33(47)40-12-11-27-8-5-13-45(27)2/h4,6-7,14-20,26-27H,3,5,8-13H2,1-2H3,(H,40,47)(H,41,48)(H2,39,42,43,50)/t27-/m1/s1
PYDRNERUXUSFJW-HHHXNRCGSA-N
717.66