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
CCCN(CCC)CCCCOc1ccc(/C=C/c2nc3ccccc3s2)cc1.Cl.O
InChI=1S/C25H32N2OS.ClH.H2O/c1-3-17-27(18-4-2)19-7-8-20-28-22-14-11-21(12-15-22)13-16-25-26-23-9-5-6-10-24(23)29-25;;/h5-6,9-16H,3-4,7-8,17-20H2,1-2H3;1H;1H2/b16-13+;;
DGXDBWXZGRHIMX-YNHPUKFJSA-N
463.09