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
CCN(CC)[C@@H](C)CNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChI=1S/C23H26N6OS/c1-4-28(5-2)16(3)14-25-23(30)17-8-10-24-20(13-17)18-15-26-29-11-9-19(27-22(18)29)21-7-6-12-31-21/h6-13,15-16H,4-5,14H2,1-3H3,(H,25,30)/t16-/m0/s1
QUFBFSMDTSFORH-INIZCTEOSA-N
434.57