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)cc(NCc2ccc3nc(NCC(O)CO)n(Cc4nc(C)ccc4O)c3c2)c1
InChI=1S/C26H31N5O3/c1-16-8-17(2)10-20(9-16)27-12-19-5-6-22-24(11-19)31(26(30-22)28-13-21(33)15-32)14-23-25(34)7-4-18(3)29-23/h4-11,21,27,32-34H,12-15H2,1-3H3,(H,28,30)
AOQNHSKADUIXKN-UHFFFAOYSA-N
461.57