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
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(C(=O)Oc2ccccc2)c(-c2cn(C)c3ccccc23)n1
InChI=1S/C32H32N6O3/c1-36-15-17-38(18-16-36)22-13-14-27(29(19-22)40-3)34-32-33-20-25(31(39)41-23-9-5-4-6-10-23)30(35-32)26-21-37(2)28-12-8-7-11-24(26)28/h4-14,19-21H,15-18H2,1-3H3,(H,33,34,35)
JWXHBFDMXKXVLZ-UHFFFAOYSA-N
548.65