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
COc1cc(OC)cc(-c2cc3cnc(N)cc3nc2NC(=O)NC(C)(C)C)c1
InChI=1S/C21H25N5O3/c1-21(2,3)26-20(27)25-19-16(8-13-11-23-18(22)10-17(13)24-19)12-6-14(28-4)9-15(7-12)29-5/h6-11H,1-5H3,(H2,22,23)(H2,24,25,26,27)
MCZADMNBTWSHHB-UHFFFAOYSA-N
395.46