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
C=CC(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1
InChI=1S/C28H24F3N5O4/c1-2-22(37)33-15-23(38)36-11-9-35(10-12-36)16-7-8-20(28(29,30)31)18(13-16)24-25(27(40)34-26(24)39)19-14-32-21-6-4-3-5-17(19)21/h2-8,13-14,32H,1,9-12,15H2,(H,33,37)(H,34,39,40)
NYTXQRHJIKPXKY-UHFFFAOYSA-N
551.53