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(CCCN1CCC2(CC1)OCc1cc(F)ncc12)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
InChI=1S/C27H30F3N5O2/c1-2-34(26(36)25(35-12-3-9-32-35)19-5-6-22(28)23(29)15-19)11-4-10-33-13-7-27(8-14-33)21-17-31-24(30)16-20(21)18-37-27/h3,5-6,9,12,15-17,25H,2,4,7-8,10-11,13-14,18H2,1H3
CMNZKLJBUSCMMX-UHFFFAOYSA-N
513.56