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
Cc1nc2c(N[C@@H]3CCOc4cccc(C)c43)cc(C(=O)N(C)CCO)cc2[nH]1
InChI=1S/C22H26N4O3/c1-13-5-4-6-19-20(13)16(7-10-29-19)25-18-12-15(22(28)26(3)8-9-27)11-17-21(18)24-14(2)23-17/h4-6,11-12,16,25,27H,7-10H2,1-3H3,(H,23,24)/t16-/m1/s1
RUSOLEDYIJJROB-MRXNPFEDSA-N
394.48