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
CCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)/C(=C/C(=O)O)CCCC2
InChI=1S/C26H26N6O2/c1-2-23-27-22-10-6-3-7-19(15-24(33)34)25(22)32(23)16-17-11-13-18(14-12-17)20-8-4-5-9-21(20)26-28-30-31-29-26/h4-5,8-9,11-15H,2-3,6-7,10,16H2,1H3,(H,33,34)(H,28,29,30,31)/b19-15+
MJRFIGQFQGLIDT-XDJHFCHBSA-N
454.53