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
O=C(NCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2cc(OC(F)(F)F)ccc2oc1=O
InChI=1S/C31H32F3N3O4/c32-31(33,34)41-21-14-15-27-20(18-21)19-24(30(39)40-27)29(38)36-17-9-3-1-2-8-16-35-28-22-10-4-6-12-25(22)37-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,35,37)(H,36,38)
CRNAJFAIPHACBA-UHFFFAOYSA-N
567.61