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(CC(=O)OC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C27H27N7O3/c1-3-4-9-23-28-22-14-15-33(17-24(35)37-2)27(36)25(22)34(23)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)26-29-31-32-30-26/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,29,30,31,32)
UHYDTDXHNHZWIN-UHFFFAOYSA-N
497.56