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
COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncccn1
InChI=1S/C29H27N7O6S/c1-39-22-11-5-6-12-23(22)42-24-25(36-43(37,38)20-13-21-9-3-2-4-10-21)34-27(26-30-14-7-15-31-26)35-28(24)40-18-19-41-29-32-16-8-17-33-29/h2-12,14-17H,13,18-20H2,1H3,(H,34,35,36)
WSNWXTKIOPWVDW-UHFFFAOYSA-N
601.65