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
Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccc(C)c2)C(=O)C3)c1
InChI=1S/C25H22N2O3/c1-16-5-3-7-19(11-16)24(29)26-22-10-9-18-14-23(28)27(15-21(18)13-22)25(30)20-8-4-6-17(2)12-20/h3-13H,14-15H2,1-2H3,(H,26,29)
QRHIIIKMYDTQEI-UHFFFAOYSA-N
398.46