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
Cc1cc(C(=O)N2CCC[C@@]2(C)c2nc3cc(F)c(Br)cc3[nH]2)c(-n2nccn2)cc1C
InChI=1S/C23H22BrFN6O/c1-13-9-15(20(10-14(13)2)31-26-6-7-27-31)21(32)30-8-4-5-23(30,3)22-28-18-11-16(24)17(25)12-19(18)29-22/h6-7,9-12H,4-5,8H2,1-3H3,(H,28,29)/t23-/m0/s1
XVMJBFKNJYLIGG-QHCPKHFHSA-N
497.37