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(NC(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cc2)c1
InChI=1S/C25H22ClN3O4/c1-33-20-12-13-22(21(15-20)25(32)27-18-8-6-17(26)7-9-18)28-24(31)16-4-10-19(11-5-16)29-14-2-3-23(29)30/h4-13,15H,2-3,14H2,1H3,(H,27,32)(H,28,31)
PXENBYVNULGHOC-UHFFFAOYSA-N
463.92