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
N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1
InChI=1S/C24H23N3O2/c25-14-15-5-9-19(10-6-15)27-23(16-3-1-2-4-16)21-12-7-17-13-18(24(28)29)8-11-20(17)22(21)26-27/h5-6,8-11,13,16,21,23H,1-4,7,12H2,(H,28,29)/t21-,23-/m0/s1
MHNSKVYWFDVXHV-GMAHTHKFSA-N
385.47