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=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1ccc(OCCNc2ccnc(F)c2)cc1
InChI=1S/C25H20FN5O3/c26-21-13-16(9-10-28-21)27-11-12-34-17-7-5-15(6-8-17)30-23-22(24(32)31-25(23)33)19-14-29-20-4-2-1-3-18(19)20/h1-10,13-14,29H,11-12H2,(H,27,28)(H2,30,31,32,33)
QITNSGLALOTVGB-UHFFFAOYSA-N
457.47