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
Cc1cc(Nc2ncc(Br)c(Nc3ccccc3NS(=O)(=O)C3CC3)n2)ccc1N1CCC(N(C)C)CC1
InChI=1S/C27H34BrN7O2S/c1-18-16-19(8-11-25(18)35-14-12-20(13-15-35)34(2)3)30-27-29-17-22(28)26(32-27)31-23-6-4-5-7-24(23)33-38(36,37)21-9-10-21/h4-8,11,16-17,20-21,33H,9-10,12-15H2,1-3H3,(H2,29,30,31,32)
STMQEMNISZELAY-UHFFFAOYSA-N
600.59