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#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3n[nH]c4ccccc34)CC2)n1
InChI=1S/C26H27N7O/c1-17-13-19(15-27)14-18(2)25(17)34-24-7-10-28-26(30-24)29-20-8-11-33(12-9-20)16-23-21-5-3-4-6-22(21)31-32-23/h3-7,10,13-14,20H,8-9,11-12,16H2,1-2H3,(H,31,32)(H,28,29,30)
WFEQHSDDJMELAD-UHFFFAOYSA-N
453.55