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
c1cc2oc(CCCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1
InChI=1S/C27H28N4O2/c1(2-4-22-16-20-14-18(6-8-24(20)32-22)26-28-10-11-29-26)3-5-23-17-21-15-19(7-9-25(21)33-23)27-30-12-13-31-27/h6-9,14-17H,1-5,10-13H2,(H,28,29)(H,30,31)
GDMJNPJHFYKMAV-UHFFFAOYSA-N
440.55