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
CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(C)C)cc1C2=O
InChI=1S/C24H28N4O4/c1-27(2)11-9-21(29)25-15-5-7-17-19(13-15)23(31)18-8-6-16(14-20(18)24(17)32)26-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,25,29)(H,26,30)
AQCKBKAIOZBOLD-UHFFFAOYSA-N
436.51