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
Cc1nn(C)cc1Nc1nc(N)c2c(-c3ccc4[nH]ccc4c3)nn(C(C)C)c2n1
InChI=1S/C21H23N9/c1-11(2)30-20-17(18(28-30)14-5-6-15-13(9-14)7-8-23-15)19(22)25-21(26-20)24-16-10-29(4)27-12(16)3/h5-11,23H,1-4H3,(H3,22,24,25,26)
HXKNWNXWDIVAGB-UHFFFAOYSA-N
401.48