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
O=c1ccc2ccc(Oc3nc(Nc4ccc(F)cc4)nc4ccsc34)cc2[nH]1
InChI=1S/C21H13FN4O2S/c22-13-3-5-14(6-4-13)23-21-25-16-9-10-29-19(16)20(26-21)28-15-7-1-12-2-8-18(27)24-17(12)11-15/h1-11H,(H,24,27)(H,23,25,26)
RVXWXVVUZOJQNU-UHFFFAOYSA-N
404.43