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
Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
InChI=1S/C29H36N6O/c1-19-13-20(2)15-24(14-19)30-17-22-6-7-25-27(16-22)35(18-26-28(36)8-5-21(3)31-26)29(33-25)32-23-9-11-34(4)12-10-23/h5-8,13-16,23,30,36H,9-12,17-18H2,1-4H3,(H,32,33)
JOIHEMQQGFZZCK-UHFFFAOYSA-N
484.65