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
CCCC(=O)N1CC[C@H](Nc2ncnc3sc(-c4cnc(OC)c(OC)c4)cc23)C1
InChI=1S/C21H25N5O3S/c1-4-5-18(27)26-7-6-14(11-26)25-19-15-9-17(30-21(15)24-12-23-19)13-8-16(28-2)20(29-3)22-10-13/h8-10,12,14H,4-7,11H2,1-3H3,(H,23,24,25)/t14-/m0/s1
KAELPKCYBGDKPS-AWEZNQCLSA-N
427.53