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
NC(=O)[C@@H]1CCCN1c1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2
InChI=1S/C20H21F2N5O4/c21-17(22)14-10-31-20(29)27(14)16-9-25-6-7-30-15-8-11(3-4-12(15)19(25)24-16)26-5-1-2-13(26)18(23)28/h3-4,8-9,13-14,17H,1-2,5-7,10H2,(H2,23,28)/t13-,14-/m0/s1
UHDIERLBAMPDRL-KBPBESRZSA-N
433.42