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
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnn(CC(C)C)c1C(=O)O
InChI=1S/C25H30N8O2/c1-4-5-14-32(24-22(25(34)35)33(31-28-24)15-17(2)3)16-18-10-12-19(13-11-18)20-8-6-7-9-21(20)23-26-29-30-27-23/h6-13,17H,4-5,14-16H2,1-3H3,(H,34,35)(H,26,27,29,30)
LTIBWTGQXRKVOU-UHFFFAOYSA-N
474.57