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
CC[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)(F)F)nc1-2)C(N)=O
InChI=1S/C19H20F3N5O4/c1-2-12(16(23)28)24-10-3-4-11-13(7-10)30-6-5-26-8-15(25-17(11)26)27-14(19(20,21)22)9-31-18(27)29/h3-4,7-8,12,14,24H,2,5-6,9H2,1H3,(H2,23,28)/t12-,14-/m0/s1
AFIWRMSGZOGOIP-JSGCOSHPSA-N
439.39