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@H](NC(=O)C1(N)CCN(c2ncnc3[nH]cc(Br)c23)CC1)c1ccc(Cl)cc1
InChI=1S/C20H22BrClN6O/c1-12(13-2-4-14(22)5-3-13)27-19(29)20(23)6-8-28(9-7-20)18-16-15(21)10-24-17(16)25-11-26-18/h2-5,10-12H,6-9,23H2,1H3,(H,27,29)(H,24,25,26)/t12-/m0/s1
OBIJPRUJRILAHD-LBPRGKRZSA-N
477.79