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=C1C[C@@H](c2nc3cc(C)c(C)cc3[nH]2)N(C(=O)c2cc(C)c(C)cc2-n2nccn2)C1
InChI=1S/C25H26N6O/c1-14-8-23(24-28-20-10-16(3)17(4)11-21(20)29-24)30(13-14)25(32)19-9-15(2)18(5)12-22(19)31-26-6-7-27-31/h6-7,9-12,23H,1,8,13H2,2-5H3,(H,28,29)/t23-/m0/s1
DAOILFTWRKNBCA-QHCPKHFHSA-N
426.52