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
O=C(NO)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1-c1ccccc1
InChI=1S/C21H15N3O4/c25-19(23-28)15-9-8-13(11-17(15)14-5-2-1-3-6-14)12-24-20(26)16-7-4-10-22-18(16)21(24)27/h1-11,28H,12H2,(H,23,25)
KINRGHJMNNIEQN-UHFFFAOYSA-N
373.37