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
CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1.O=C(O)C(O)C(O)C(=O)O
InChI=1S/C28H45N7.C4H6O6/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4;5-1(3(7)8)2(6)4(9)10/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30);1-2,5-6H,(H,7,8)(H,9,10)
YCAMCDZPALUJIJ-UHFFFAOYSA-N
629.8