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)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1
InChI=1S/C22H31N3O4/c1-16(2)24-22(28)25-18-10-8-17(9-11-18)12-19(14-26)23-13-20(27)15-29-21-6-4-3-5-7-21/h3-11,16,19-20,23,26-27H,12-15H2,1-2H3,(H2,24,25,28)/t19-,20-/m0/s1
WFQCJZNVJUZBFB-PMACEKPBSA-N
401.51