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
N#Cc1ccc(OCC2CN(c3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1
InChI=1S/C27H24N6O2/c28-14-18-4-12-23(13-5-18)35-17-19-15-32(16-19)22-10-8-20(9-11-22)24-2-1-3-25-29-27(31-33(24)25)30-26(34)21-6-7-21/h1-5,8-13,19,21H,6-7,15-17H2,(H,30,31,34)
JIIRCKKPTYSKOP-UHFFFAOYSA-N
464.53