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
CC(=O)O.O=C(CN1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCCCC3)cc1C2=O
InChI=1S/C28H32N4O4.C2H4O2/c33-25(17-31-11-3-1-4-12-31)29-19-7-9-21-23(15-19)27(35)22-10-8-20(16-24(22)28(21)36)30-26(34)18-32-13-5-2-6-14-32;1-2(3)4/h7-10,15-16H,1-6,11-14,17-18H2,(H,29,33)(H,30,34);1H3,(H,3,4)
BDDRTFSABAUFKH-UHFFFAOYSA-N
548.64