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
CCCCc1nc2ccn(C(C(=O)N(C)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C39H36N8O2/c1-3-4-19-34-40-33-24-25-46(35(29-13-7-5-8-14-29)38(48)45(2)30-15-9-6-10-16-30)39(49)36(33)47(34)26-27-20-22-28(23-21-27)31-17-11-12-18-32(31)37-41-43-44-42-37/h5-18,20-25,35H,3-4,19,26H2,1-2H3,(H,41,42,43,44)
PNFCUMROWMPBEJ-UHFFFAOYSA-N
648.77