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
CCc1nc2ccc(/N=c3\[nH]c(=O)n(CCCCC(=O)OC)c(=O)n3Cc3ccc(C)cc3)cc2s1
InChI=1S/C26H29N5O4S/c1-4-22-28-20-13-12-19(15-21(20)36-22)27-24-29-25(33)30(14-6-5-7-23(32)35-3)26(34)31(24)16-18-10-8-17(2)9-11-18/h8-13,15H,4-7,14,16H2,1-3H3,(H,27,29,33)
PYUKMAGSSMRJMK-UHFFFAOYSA-N
507.62