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
Cc1ccc(C(C)NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1ccc2nc(Nc3cnn(C4CC4)c3)ncc2c1
InChI=1S/C34H33N7O/c1-21-8-9-23(22(2)38-32(42)25-6-5-7-27(15-25)34(3,4)20-35)16-30(21)24-10-13-31-26(14-24)17-36-33(40-31)39-28-18-37-41(19-28)29-11-12-29/h5-10,13-19,22,29H,11-12H2,1-4H3,(H,38,42)(H,36,39,40)
AHICVXGSLBIYPJ-UHFFFAOYSA-N
555.69