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
COCCOc1cc(Nc2cc(NC(C)=O)ncc2-c2ccccn2)nc(S(C)(=O)=O)c1
InChI=1S/C21H23N5O5S/c1-14(27)24-19-12-18(16(13-23-19)17-6-4-5-7-22-17)25-20-10-15(31-9-8-30-2)11-21(26-20)32(3,28)29/h4-7,10-13H,8-9H2,1-3H3,(H2,23,24,25,26,27)
COSYLMZYNGUKPD-UHFFFAOYSA-N
457.51