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
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(OC)nc3)ncc2c1=O
InChI=1S/C24H22N6O4/c1-33-20-9-7-16(11-25-20)27-24-26-12-18-21(31)19(23(32)29-34-2)13-30(22(18)28-24)17-8-6-14-4-3-5-15(14)10-17/h6-13H,3-5H2,1-2H3,(H,29,32)(H,26,27,28)
HBLRDVRCACKNEQ-UHFFFAOYSA-N
458.48