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
CCCCc1nc2ccc(N3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChI=1S/C30H33N3O2/c1-2-3-11-29-31-27-17-16-24(32-18-7-4-8-19-32)20-28(27)33(29)21-22-12-14-23(15-13-22)25-9-5-6-10-26(25)30(34)35/h5-6,9-10,12-17,20H,2-4,7-8,11,18-19,21H2,1H3,(H,34,35)
AARLGRJNBAYPPW-UHFFFAOYSA-N
467.61