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
CC(C)N1CCC(COc2cc3c(cn2)C(c2ccc(Cl)c(Cl)c2)CN(C)C3)CC1
InChI=1S/C24H31Cl2N3O/c1-16(2)29-8-6-17(7-9-29)15-30-24-11-19-13-28(3)14-21(20(19)12-27-24)18-4-5-22(25)23(26)10-18/h4-5,10-12,16-17,21H,6-9,13-15H2,1-3H3
HRDUUEDPDCVSJF-UHFFFAOYSA-N
448.44