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
NCCCCCCCCCCCCNc1ccn(C2CCC(CO)O2)c(=O)n1
InChI=1S/C21H38N4O3/c22-14-9-7-5-3-1-2-4-6-8-10-15-23-19-13-16-25(21(27)24-19)20-12-11-18(17-26)28-20/h13,16,18,20,26H,1-12,14-15,17,22H2,(H,23,24,27)
NIVSTOPDMRKWBH-UHFFFAOYSA-N
394.56