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
CCc1ccc(-c2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)cc1
InChI=1S/C25H25BrN6O4S/c1-2-18-8-10-20(11-9-18)22-23(32-37(33,34)31-14-19-6-4-3-5-7-19)29-17-30-24(22)35-12-13-36-25-27-15-21(26)16-28-25/h3-11,15-17,31H,2,12-14H2,1H3,(H,29,30,32)
DTSHFCFWFUAWDU-UHFFFAOYSA-N
585.48