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
CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)N4CCCCC4)cc1)(C3)C2
InChI=1S/C25H35N3O2/c1-23-12-18-13-24(2,15-23)17-25(14-18,16-23)27-22(30)26-20-8-6-19(7-9-20)21(29)28-10-4-3-5-11-28/h6-9,18H,3-5,10-17H2,1-2H3,(H2,26,27,30)
MDTPGXBNIWVRJM-UHFFFAOYSA-N
409.57