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
CNc1cc(Nc2cc(C)cnc2OC(C)C)nc2c(C(=O)NC3CC3)cnn12
InChI=1S/C20H25N7O2/c1-11(2)29-20-15(7-12(3)9-22-20)25-16-8-17(21-4)27-18(26-16)14(10-23-27)19(28)24-13-5-6-13/h7-11,13,21H,5-6H2,1-4H3,(H,24,28)(H,25,26)
KKSJSCZJNDCDHC-UHFFFAOYSA-N
395.47