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(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCS(=O)(=O)CC3)c2)CC1
InChI=1S/C23H25N5O4S/c1-15(29)28-8-4-16(5-9-28)18-2-3-21(27-23(30)22-25-14-19(13-24)26-22)20(12-18)17-6-10-33(31,32)11-7-17/h2-3,6,12,14,16H,4-5,7-11H2,1H3,(H,25,26)(H,27,30)
VHOZQGFKMQDWHA-UHFFFAOYSA-N
467.55