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
Cc1ccc(C(=O)N2CCC(c3cnc(C(=O)NCC(=O)O)c(O)c3)CC2)cc1
InChI=1S/C21H23N3O5/c1-13-2-4-15(5-3-13)21(29)24-8-6-14(7-9-24)16-10-17(25)19(22-11-16)20(28)23-12-18(26)27/h2-5,10-11,14,25H,6-9,12H2,1H3,(H,23,28)(H,26,27)
KOJXTUCOTOBKJL-UHFFFAOYSA-N
397.43