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
Cc1cc(C)c(Nc2cc(OCCCN3CCOCC3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1
InChI=1S/C27H32N6O2/c1-19-15-20(2)26(21(3)16-19)30-24-17-25(35-12-4-9-33-10-13-34-14-11-33)32-27(31-24)29-23-7-5-22(18-28)6-8-23/h5-8,15-17H,4,9-14H2,1-3H3,(H2,29,30,31,32)
VGQOQVGHPBIOJM-UHFFFAOYSA-N
472.59