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
CNCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
InChI=1S/C22H28ClN7O/c1-25-10-7-18(15-2-4-16(23)5-3-15)29-21(31)22(24)8-12-30(13-9-22)20-17-6-11-26-19(17)27-14-28-20/h2-6,11,14,18,25H,7-10,12-13,24H2,1H3,(H,29,31)(H,26,27,28)
PHGYSGFLTAWYRQ-UHFFFAOYSA-N
441.97