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
COc1ccc(-c2cccc3nc(Nc4ccc(NC(C)=O)cc4)nn23)cc1
InChI=1S/C21H19N5O2/c1-14(27)22-16-8-10-17(11-9-16)23-21-24-20-5-3-4-19(26(20)25-21)15-6-12-18(28-2)13-7-15/h3-13H,1-2H3,(H,22,27)(H,23,25)
QMXHHOCQGSUOIM-UHFFFAOYSA-N
373.42