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
CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Br)c5)CC4)cc3)[nH]c2c1=O
InChI=1S/C25H27BrN6O4S/c1-2-10-32-24(33)21-23(29-25(32)34)28-22(27-21)18-6-8-20(9-7-18)37(35,36)31-13-11-30(12-14-31)16-17-4-3-5-19(26)15-17/h3-9,15H,2,10-14,16H2,1H3,(H,27,28)(H,29,34)
PLUQLUVHIZUZDQ-UHFFFAOYSA-N
587.5