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)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1
InChI=1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H3,(H4,19,20,21,22,23,24,25)
YJOFXQWQYIOWNT-UHFFFAOYSA-N
336.4