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
CCC/C=C/C(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)nc3)nc3c2CSCC3)c1
InChI=1S/C25H27N5O3S/c1-3-4-5-9-22(31)27-17-7-6-8-19(14-17)33-24-20-16-34-13-12-21(20)29-25(30-24)28-18-10-11-23(32-2)26-15-18/h5-11,14-15H,3-4,12-13,16H2,1-2H3,(H,27,31)(H,28,29,30)/b9-5+
MOPUKGRNMJFASP-WEVVVXLNSA-N
477.59