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
Cn1c(NC2CCN(CCc3ccc(C(=O)N4CCNCC4)cc3)CC2)nc2ccccc21
InChI=1S/C26H34N6O/c1-30-24-5-3-2-4-23(24)29-26(30)28-22-11-16-31(17-12-22)15-10-20-6-8-21(9-7-20)25(33)32-18-13-27-14-19-32/h2-9,22,27H,10-19H2,1H3,(H,28,29)
MHPIXXFVAVYYMQ-UHFFFAOYSA-N
446.6