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(C(C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI=1S/C33H31N7O3/c1-3-4-14-28-34-27-19-20-39(29(33(42)43-2)24-10-6-5-7-11-24)32(41)30(27)40(28)21-22-15-17-23(18-16-22)25-12-8-9-13-26(25)31-35-37-38-36-31/h5-13,15-20,29H,3-4,14,21H2,1-2H3,(H,35,36,37,38)
SIKJGBOEWBICQY-UHFFFAOYSA-N
573.66