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
OCCN1CCC[C@@H](Nc2nnc(-c3ccc4occc4c3O)c3c2C2CCC3CC2)C1
InChI=1S/C25H30N4O3/c30-12-11-29-10-1-2-17(14-29)26-25-22-16-5-3-15(4-6-16)21(22)23(27-28-25)19-7-8-20-18(24(19)31)9-13-32-20/h7-9,13,15-17,30-31H,1-6,10-12,14H2,(H,26,28)/t15?,16?,17-/m1/s1
UNBDWXPYOJFIBC-OFLPRAFFSA-N
434.54