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
Nc1nc2[nH]c(CCCSc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1
InChI=1S/C21H23N5O6S/c22-21-25-17-14(19(30)26-21)10-12(23-17)2-1-9-33-13-5-3-11(4-6-13)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,10,15H,1-2,7-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t15-/m0/s1
AVVUJZMZPKPMOO-HNNXBMFYSA-N
473.51