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
COc1ccc2c3ccnc(C)c3n(CCNC(=O)OC/C=C/c3ccc(C)cc3)c2c1
InChI=1S/C26H27N3O3/c1-18-6-8-20(9-7-18)5-4-16-32-26(30)28-14-15-29-24-17-21(31-3)10-11-22(24)23-12-13-27-19(2)25(23)29/h4-13,17H,14-16H2,1-3H3,(H,28,30)/b5-4+
LDBBDIMXBVFUGU-SNAWJCMRSA-N
429.52