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(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CC3)c2)c1
InChI=1S/C27H28N4O4/c1-31(17-25-34-11-12-35-25)27(33)21-13-20(14-23(15-21)29-22-5-3-2-4-6-22)19-9-10-28-24(16-19)30-26(32)18-7-8-18/h2-6,9-10,13-16,18,25,29H,7-8,11-12,17H2,1H3,(H,28,30,32)
HHHPAIPLLVZZFS-UHFFFAOYSA-N
472.55