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
C/C=C/c1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChI=1S/C24H21N3O2/c1-3-6-21-26-22-16(2)13-14-25-23(22)27(21)15-17-9-11-18(12-10-17)19-7-4-5-8-20(19)24(28)29/h3-14H,15H2,1-2H3,(H,28,29)/b6-3+
LPEUCKPUPISWMA-ZZXKWVIFSA-N
383.45