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
COC(=N)NS(=O)(=O)c1ccc(NC(=O)C2CCCN2C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChI=1S/C21H25N5O7S2/c1-14-5-9-16(10-6-14)35(31,32)25-21(28)26-13-3-4-18(26)19(27)23-15-7-11-17(12-8-15)34(29,30)24-20(22)33-2/h5-12,18H,3-4,13H2,1-2H3,(H2,22,24)(H,23,27)(H,25,28)
NNMPILZZNJWCRN-UHFFFAOYSA-N
523.59