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(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(C)c(Br)cc3[nH]2)c1
InChI=1S/C24H25BrN6O/c1-14-6-7-20(31-26-9-10-27-31)17(12-14)22(32)30-11-5-8-24(30,4)23-28-19-13-18(25)15(2)16(3)21(19)29-23/h6-7,9-10,12-13H,5,8,11H2,1-4H3,(H,28,29)/t24-/m0/s1
MCOBUUIPLMSSOE-DEOSSOPVSA-N
493.41