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
Cc1cc2c(ccn2-c2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)cc1O
InChI=1S/C19H11Cl2N5O3/c1-9-4-15-10(5-16(9)27)2-3-25(15)17-12(20)6-11(7-13(17)21)26-19(29)23-18(28)14(8-22)24-26/h2-7,27H,1H3,(H,23,28,29)
GQJZOTUABXERSK-UHFFFAOYSA-N
428.24