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
O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChI=1S/C25H30ClN3O2/c26-16-4-3-5-17(14-16)28-12-10-27(11-13-28)8-1-2-9-29-24(30)22-18-6-7-19(21-15-20(18)21)23(22)25(29)31/h3-7,14,18-23H,1-2,8-13,15H2
SAHCFCFOKRFDAF-UHFFFAOYSA-N
439.99