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)N[C@H]1CCCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)C1
InChI=1S/C27H23F3N4O3/c1-2-22(35)32-15-6-5-11-34(14-15)16-9-10-20(27(28,29)30)18(12-16)23-24(26(37)33-25(23)36)19-13-31-21-8-4-3-7-17(19)21/h2-4,7-10,12-13,15,31H,1,5-6,11,14H2,(H,32,35)(H,33,36,37)/t15-/m0/s1
STCBITIZMNQJLU-HNNXBMFYSA-N
508.5