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](Oc1cc2c3c(c1)nc(-c1cc4sc(N)nc4cc1F)n3CCCCO2)C(N)=O
InChI=1S/C21H20FN5O3S/c1-10(19(23)28)30-11-6-15-18-16(7-11)29-5-3-2-4-27(18)20(25-15)12-8-17-14(9-13(12)22)26-21(24)31-17/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
MHVODUXHRHTPEK-JTQLQIEISA-N
441.49