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
CC1CCN(c2cc(C3CCNCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChI=1S/C23H28N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-5,14,16-17,25H,6-13H2,1H3,(H,26,28)
WRQHIXFOIZGJDI-UHFFFAOYSA-N
392.5