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
c1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c2nn1
InChI=1S/C22H25N9/c1-2-4-15(3-1)31-20-18(17-7-8-26-29-21(17)31)14-25-22(28-20)27-19-6-5-16(13-24-19)30-11-9-23-10-12-30/h5-8,13-15,23H,1-4,9-12H2,(H,24,25,27,28)
BOEVQFOAJBRYBJ-UHFFFAOYSA-N
415.51