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
Cl.O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChI=1S/C23H29N5O2.ClH/c29-21-19-15-4-5-16(18-14-17(15)18)20(19)22(30)28(21)9-2-1-8-26-10-12-27(13-11-26)23-24-6-3-7-25-23;/h3-7,15-20H,1-2,8-14H2;1H
LXBDLRGXKGFXNZ-UHFFFAOYSA-N
443.98