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
O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCCN1CCC(c2c[nH]c3ccccc23)CC1
InChI=1S/C28H29FN4O2/c29-19-6-7-26-21(14-19)24(17-31-26)22-15-27(34)33(28(22)35)11-3-10-32-12-8-18(9-13-32)23-16-30-25-5-2-1-4-20(23)25/h1-2,4-7,14,16-18,22,30-31H,3,8-13,15H2
LGQDXOUYAXFXSM-UHFFFAOYSA-N
472.56