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(OC)c(C(C)Cn2cnc3sc4c(c3c2=O)CCN(S(=O)(=O)N(C)C)C4)c1
InChI=1S/C22H28N4O5S2/c1-14(17-10-15(30-4)6-7-18(17)31-5)11-25-13-23-21-20(22(25)27)16-8-9-26(12-19(16)32-21)33(28,29)24(2)3/h6-7,10,13-14H,8-9,11-12H2,1-5H3
BCABBMIXRDTMRE-UHFFFAOYSA-N
492.62