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
Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3c(nc4ccccc24)CCCC3)c1C
InChI=1S/C39H49N5O2/c1-28-16-14-23-33(29(28)2)43-36-22-11-8-19-32(36)39(46)42-27-15-24-37(45)40-25-12-4-3-5-13-26-41-38-30-17-6-9-20-34(30)44-35-21-10-7-18-31(35)38/h6,8-9,11,14,16-17,19-20,22-23,43H,3-5,7,10,12-13,15,18,21,24-27H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)
KIBXKBOGHTXWAP-UHFFFAOYSA-N
619.85