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
CCOc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1
InChI=1S/C35H49ClN6O4/c1-3-45-31-13-7-6-12-29(31)40-22-18-38(19-23-40)16-10-4-5-11-17-42-35(43)34(36)30(28-37-42)41-24-20-39(21-25-41)26-27-46-33-15-9-8-14-32(33)44-2/h6-9,12-15,28H,3-5,10-11,16-27H2,1-2H3
NAAIBXRKYAZKLR-UHFFFAOYSA-N
653.27