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
CN(C)C(=N)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChI=1S/C23H19ClF3N5O2/c1-32(2)20(28)13-3-5-14(6-4-13)21(33)30-18-9-7-15(23(25,26)27)11-17(18)22(34)31-19-10-8-16(24)12-29-19/h3-12,28H,1-2H3,(H,30,33)(H,29,31,34)
PVQXHDHTHZOMLR-UHFFFAOYSA-N
489.89