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=C(O)CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21
InChI=1S/C27H22FN3O3/c28-21-10-4-1-8-19(21)26-20-9-3-6-12-24(20)31(14-13-25(32)33)27(34)23(30-26)15-17-16-29-22-11-5-2-7-18(17)22/h1-12,16,23,29H,13-15H2,(H,32,33)/t23-/m1/s1
FJCNCSQFBAAJNR-HSZRJFAPSA-N
455.49