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(Cc1nc2cccc(CCCN3CCCC3)c2[nH]1)C1CCCc2cccnc21
InChI=1S/C25H33N5/c1-29(22-13-5-9-20-10-6-14-26-25(20)22)18-23-27-21-12-4-8-19(24(21)28-23)11-7-17-30-15-2-3-16-30/h4,6,8,10,12,14,22H,2-3,5,7,9,11,13,15-18H2,1H3,(H,27,28)
JFCUMHNRFWTSSD-UHFFFAOYSA-N
403.57