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
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)c4cccnc4)ccc3n(C)c12
InChI=1S/C28H27N5O3/c1-17-20-9-11-30-25(27(34)31-12-13-32(2)3)22(20)15-23-21-14-19(7-8-24(21)33(4)26(17)23)36-28(35)18-6-5-10-29-16-18/h5-11,14-16H,12-13H2,1-4H3,(H,31,34)
ITINPRIVPMWHGG-UHFFFAOYSA-N
481.56