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
CCCCN1CCN(CCNC(=O)n2c(=O)n(CC)c3ccccc32)CC1
InChI=1S/C20H31N5O2/c1-3-5-11-22-13-15-23(16-14-22)12-10-21-19(26)25-18-9-7-6-8-17(18)24(4-2)20(25)27/h6-9H,3-5,10-16H2,1-2H3,(H,21,26)
JKBCNQMGHPFEQJ-UHFFFAOYSA-N
373.5