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
CC(=O)N(Cc1ccc(F)cc1)C1=C(NCCc2ccccc2)C(=O)c2ccccc2C1=O
InChI=1S/C27H23FN2O3/c1-18(31)30(17-20-11-13-21(28)14-12-20)25-24(29-16-15-19-7-3-2-4-8-19)26(32)22-9-5-6-10-23(22)27(25)33/h2-14,29H,15-17H2,1H3
SNPULDFVHOUJEE-UHFFFAOYSA-N
442.49