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
CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChI=1S/C28H27ClN4O3S/c1-2-3-12-25-31-32-28(37-18-20-8-4-7-11-24(20)29)33(25)17-19-13-15-21(16-14-19)30-26(34)22-9-5-6-10-23(22)27(35)36/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,30,34)(H,35,36)
DPVLKPTYCDXXGC-UHFFFAOYSA-N
535.07