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
CCCCc1nn(-c2ccccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C27H27N7O2/c1-3-4-13-25-30-34(23-11-7-8-12-24(23)36-2)27(35)33(25)18-19-14-16-20(17-15-19)21-9-5-6-10-22(21)26-28-31-32-29-26/h5-12,14-17H,3-4,13,18H2,1-2H3,(H,28,29,31,32)
JJJKSURHGDYLPI-UHFFFAOYSA-N
481.56