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
COc1cccc(C(=O)N2CCN(CC(=O)N3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)CC2)c1
InChI=1S/C29H36FN5O3/c1-38-25-6-2-4-22(18-25)29(37)35-16-12-33(13-17-35)21-28(36)34-14-10-32(11-15-34)9-3-5-23-20-31-27-8-7-24(30)19-26(23)27/h2,4,6-8,18-20,31H,3,5,9-17,21H2,1H3
QCBOCGZUHOJHHR-UHFFFAOYSA-N
521.64