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)NCc2ccccc2)nc(-c2cnccn2)nc1OCCOc1ncc(Br)cn1
InChI=1S/C28H25BrN8O6S/c1-40-22-9-5-6-10-23(22)43-24-26(37-44(38,39)34-15-19-7-3-2-4-8-19)35-25(21-18-30-11-12-31-21)36-27(24)41-13-14-42-28-32-16-20(29)17-33-28/h2-12,16-18,34H,13-15H2,1H3,(H,35,36,37)
QYVHDIUYFHTCJX-UHFFFAOYSA-N
681.53