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
Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)CCCC2=O
InChI=1S/C25H32N4O2S/c1-17-19(16-28-12-14-29(15-13-28)24(31)18-6-2-3-7-18)8-4-9-20(17)26-25-27-23-21(30)10-5-11-22(23)32-25/h4,8-9,18H,2-3,5-7,10-16H2,1H3,(H,26,27)
QEQJJZIJNRYPBF-UHFFFAOYSA-N
452.62