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(O)nnc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1
InChI=1S/C29H24N8O/c1-17-14-26(38)31-32-27(17)21-12-13-24-25(15-21)37(29(30-24)20-10-11-20)16-18-6-8-19(9-7-18)22-4-2-3-5-23(22)28-33-35-36-34-28/h2-9,12-15,20H,10-11,16H2,1H3,(H,31,38)(H,33,34,35,36)
KIDSBZQLILXVNO-UHFFFAOYSA-N
500.57