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
CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C)CC5=O)cn4)ncc3F)cc21
InChI=1S/C26H28F2N6O2/c1-15(2)34-8-9-36-25-19(27)10-17(11-21(25)34)24-20(28)13-30-26(32-24)31-23-5-4-16(12-29-23)18-6-7-33(3)14-22(18)35/h4-5,10-13,15,18H,6-9,14H2,1-3H3,(H,29,30,31,32)
ORANZZBUKCNAKJ-UHFFFAOYSA-N
494.55