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#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ncccn2)c1=O
InChI=1S/C18H22N6O2/c1-2-3-10-23-16(22-9-4-6-14(19)12-22)11-17(25)24(18(23)26)13-15-20-7-5-8-21-15/h5,7-8,11,14H,4,6,9-10,12-13,19H2,1H3/t14-/m1/s1
FGZNWCNJOLTLHF-CQSZACIVSA-N
354.41