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
CN(C)CCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChI=1S/C19H21ClN6/c1-26(2)7-6-23-17-8-14(10-21-11-17)18-12-22-13-19(25-18)24-16-5-3-4-15(20)9-16/h3-5,8-13,23H,6-7H2,1-2H3,(H,24,25)
XTEWWTLBXKFYCF-UHFFFAOYSA-N
368.87