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
C[C@]12CC[C@H](OC(=O)C3CCCNC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)c3nnsc3C[C@@H]12
InChI=1S/C25H37N3O2S/c1-24-9-7-17(30-23(29)15-4-3-11-26-14-15)12-16(24)5-6-18-19(24)8-10-25(2)20(18)13-21-22(25)27-28-31-21/h15-20,26H,3-14H2,1-2H3/t15?,16-,17-,18+,19-,20-,24-,25-/m0/s1
LPGUKJSZHDCFBE-KERIKHDMSA-N
443.66