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
CCN(CC)c1ccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)cc1
InChI=1S/C24H26N6O/c1-4-30(5-2)20-12-10-19(11-13-20)27-24(31)26-18-8-6-17(7-9-18)21-14-15-25-23-22(21)16(3)28-29-23/h6-15H,4-5H2,1-3H3,(H,25,28,29)(H2,26,27,31)
MUGQYYFPFUTADE-UHFFFAOYSA-N
414.51