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
CCCc1nc2ccc(-c3nc4ccccc4o3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C31H25N7O/c1-2-7-29-32-25-17-16-22(31-33-26-10-5-6-11-28(26)39-31)18-27(25)38(29)19-20-12-14-21(15-13-20)23-8-3-4-9-24(23)30-34-36-37-35-30/h3-6,8-18H,2,7,19H2,1H3,(H,34,35,36,37)
GZXAWHVPDYMEJL-UHFFFAOYSA-N
511.59