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
COc1cc(OC)cc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1
InChI=1S/C25H22N6O3/c1-33-19-10-18(11-20(13-19)34-2)25(32)26-24-21-12-17(8-9-22(21)27-29-24)23-15-31(30-28-23)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H2,26,27,29,32)
JJTYLBBKGQOISV-UHFFFAOYSA-N
454.49