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
COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(Cl)cc2)c1
InChI=1S/C22H21ClN4O3S/c1-27-10-9-18-19(12-27)31-22(26-18)21(29)25-17-8-7-15(30-2)11-16(17)20(28)24-14-5-3-13(23)4-6-14/h3-8,11H,9-10,12H2,1-2H3,(H,24,28)(H,25,29)
XRUVLDILTYCIKH-UHFFFAOYSA-N
456.96