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
NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21
InChI=1S/C23H30N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-4,6-8,10,13,21-22,26H,5,9,11-12,14-17,24H2/b4-3-/t21-,22+/m1/s1
VUXQRANDPGSPRS-QOZQEUDZSA-N
362.52