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(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(c2ccc(Cl)c(F)c2)CC1
InChI=1S/C19H16ClFN4O4/c20-13-3-2-12(10-14(13)21)24-5-7-25(8-6-24)18(27)17(26)22-11-1-4-15-16(9-11)29-19(28)23-15/h1-4,9-10H,5-8H2,(H,22,26)(H,23,28)
FEJPEWXUTQZTFU-UHFFFAOYSA-N
418.81