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
CSc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChI=1S/C22H19N3O2S/c1-14-11-12-23-20-19(14)24-22(28-2)25(20)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)21(26)27/h3-12H,13H2,1-2H3,(H,26,27)
LTCKFDSBVGOGKB-UHFFFAOYSA-N
389.48