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
CCCCc1nc2ccn(CC(=O)C(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C30H33N7O2/c1-5-6-11-26-31-24-16-17-36(19-25(38)30(2,3)4)29(39)27(24)37(26)18-20-12-14-21(15-13-20)22-9-7-8-10-23(22)28-32-34-35-33-28/h7-10,12-17H,5-6,11,18-19H2,1-4H3,(H,32,33,34,35)
QLLMJWABIZKFMU-UHFFFAOYSA-N
523.64