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
Cc1ccc(C(=O)NC2CCc3ccc(CCN4CCN(c5nsc6ccccc56)CC4)cc32)cc1
InChI=1S/C30H32N4OS/c1-21-6-9-24(10-7-21)30(35)31-27-13-12-23-11-8-22(20-26(23)27)14-15-33-16-18-34(19-17-33)29-25-4-2-3-5-28(25)36-32-29/h2-11,20,27H,12-19H2,1H3,(H,31,35)
ZAAQJDPTTZJUDL-UHFFFAOYSA-N
496.68