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
COc1ccc(CNc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1
InChI=1S/C22H22N6O/c1-15-3-5-20(17(9-15)10-23)28-8-7-19-18(13-28)22(27-14-26-19)25-12-16-4-6-21(29-2)24-11-16/h3-6,9,11,14H,7-8,12-13H2,1-2H3,(H,25,26,27)
RVOHPYXQEZNVMH-UHFFFAOYSA-N
386.46